USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 ASN : amide:sc= -0.152 K(o=-0.15,f=-3.4!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 45 SER OG : rot -150:sc=-0.00362 USER MOD Set 2.2: A 50 MET CE :methyl 163:sc= -0.771 (180deg=-0.215) USER MOD Set 2.3: A 53 GLN : amide:sc= -4.2! C(o=-5!,f=-6.3!) USER MOD Set 3.1: A 28 SER OG : rot -150:sc= 0.339 USER MOD Set 3.2: A 77 TYR OH : rot -31:sc= 0.0129 USER MOD Set 4.1: A 12 TYR OH : rot 13:sc= -0.861! USER MOD Set 4.2: A 14 ASN : amide:sc= 0.747 K(o=-0.11,f=-2.2) USER MOD Set 5.1: A 10 THR OG1 : rot 109:sc= -3.24! USER MOD Set 5.2: A 90 SER OG : rot -107:sc= -2.18! USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HE2:sc= -1.91 K(o=-1.9,f=-6.7!) USER MOD Single : A 15 ASN : amide:sc= -0.352 K(o=-0.35,f=-3.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0188) USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= -0.98 (180deg=-1.05) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 0.0848 (180deg=0.0842) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.141 F(o=-0.78,f=-0.14) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 66 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.61) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -122:sc= -0.145 (180deg=-0.742) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.144 F(o=-1.2,f=-0.14) USER MOD Single : A 81 MET CE :methyl -173:sc= -0.315 (180deg=-0.383) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 85 TYR OH : rot 69:sc= -2.35! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00341 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 30.392 -3.400 -28.079 1.00 0.00 N ATOM 683 CA PRO A 7 29.765 -2.922 -26.835 1.00 0.00 C ATOM 684 C PRO A 7 30.412 -1.602 -26.389 1.00 0.00 C ATOM 685 O PRO A 7 31.569 -1.578 -25.974 1.00 0.00 O ATOM 686 CB PRO A 7 30.044 -4.041 -25.827 1.00 0.00 C ATOM 687 CG PRO A 7 31.269 -4.815 -26.364 1.00 0.00 C ATOM 688 CD PRO A 7 31.357 -4.512 -27.870 1.00 0.00 C ATOM 0 HA PRO A 7 28.699 -2.719 -26.942 1.00 0.00 H new ATOM 0 HB2 PRO A 7 30.247 -3.631 -24.838 1.00 0.00 H new ATOM 0 HB3 PRO A 7 29.181 -4.699 -25.729 1.00 0.00 H new ATOM 0 HG2 PRO A 7 32.179 -4.502 -25.852 1.00 0.00 H new ATOM 0 HG3 PRO A 7 31.157 -5.885 -26.190 1.00 0.00 H new ATOM 0 HD2 PRO A 7 32.367 -4.221 -28.159 1.00 0.00 H new ATOM 0 HD3 PRO A 7 31.093 -5.385 -28.467 1.00 0.00 H new ATOM 689 N ASN A 8 29.694 -0.502 -26.466 1.00 0.00 N ATOM 690 CA ASN A 8 30.287 0.801 -26.045 1.00 0.00 C ATOM 691 C ASN A 8 29.984 1.046 -24.560 1.00 0.00 C ATOM 692 O ASN A 8 29.387 0.203 -23.892 1.00 0.00 O ATOM 693 CB ASN A 8 29.692 1.940 -26.883 1.00 0.00 C ATOM 694 CG ASN A 8 30.701 2.372 -27.956 1.00 0.00 C ATOM 695 OD1 ASN A 8 31.073 1.576 -28.815 1.00 0.00 O ATOM 696 ND2 ASN A 8 31.170 3.597 -27.957 1.00 0.00 N ATOM 0 H ASN A 8 28.731 -0.455 -26.800 1.00 0.00 H new ATOM 0 HA ASN A 8 31.366 0.769 -26.197 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.764 1.613 -27.353 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.444 2.786 -26.241 1.00 0.00 H new ATOM 0 HD21 ASN A 8 31.841 3.886 -28.669 1.00 0.00 H new ATOM 0 HD22 ASN A 8 30.864 4.261 -27.246 1.00 0.00 H new ATOM 697 N HIS A 9 30.379 2.181 -24.025 1.00 0.00 N ATOM 698 CA HIS A 9 30.104 2.459 -22.579 1.00 0.00 C ATOM 699 C HIS A 9 28.629 2.857 -22.401 1.00 0.00 C ATOM 700 O HIS A 9 27.994 2.489 -21.414 1.00 0.00 O ATOM 701 CB HIS A 9 31.004 3.604 -22.082 1.00 0.00 C ATOM 702 CG HIS A 9 31.680 3.210 -20.797 1.00 0.00 C ATOM 703 ND1 HIS A 9 33.032 2.915 -20.735 1.00 0.00 N ATOM 704 CD2 HIS A 9 31.204 3.058 -19.518 1.00 0.00 C ATOM 705 CE1 HIS A 9 33.322 2.604 -19.459 1.00 0.00 C ATOM 706 NE2 HIS A 9 32.243 2.675 -18.674 1.00 0.00 N ATOM 0 H HIS A 9 30.875 2.919 -24.524 1.00 0.00 H new ATOM 0 HA HIS A 9 30.314 1.560 -22.000 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.753 3.843 -22.837 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.409 4.504 -21.928 1.00 0.00 H new ATOM 0 HD1 HIS A 9 33.689 2.931 -21.515 1.00 0.00 H new ATOM 0 HD2 HIS A 9 30.179 3.212 -19.213 1.00 0.00 H new ATOM 0 HE1 HIS A 9 34.307 2.330 -19.111 1.00 0.00 H new ATOM 707 N THR A 10 28.068 3.610 -23.325 1.00 0.00 N ATOM 708 CA THR A 10 26.643 4.027 -23.180 1.00 0.00 C ATOM 709 C THR A 10 25.750 3.188 -24.108 1.00 0.00 C ATOM 710 O THR A 10 26.208 2.665 -25.121 1.00 0.00 O ATOM 711 CB THR A 10 26.513 5.506 -23.558 1.00 0.00 C ATOM 712 OG1 THR A 10 27.377 6.278 -22.738 1.00 0.00 O ATOM 713 CG2 THR A 10 25.067 5.963 -23.360 1.00 0.00 C ATOM 0 H THR A 10 28.537 3.948 -24.165 1.00 0.00 H new ATOM 0 HA THR A 10 26.328 3.875 -22.148 1.00 0.00 H new ATOM 0 HB THR A 10 26.789 5.641 -24.604 1.00 0.00 H new ATOM 0 HG1 THR A 10 28.126 6.611 -23.275 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.978 7.015 -23.630 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.408 5.369 -23.993 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.783 5.831 -22.316 1.00 0.00 H new ATOM 714 N ILE A 11 24.476 3.066 -23.793 1.00 0.00 N ATOM 715 CA ILE A 11 23.563 2.283 -24.670 1.00 0.00 C ATOM 716 C ILE A 11 22.446 3.209 -25.177 1.00 0.00 C ATOM 717 O ILE A 11 22.022 4.131 -24.478 1.00 0.00 O ATOM 718 CB ILE A 11 22.950 1.116 -23.888 1.00 0.00 C ATOM 719 CG1 ILE A 11 22.223 1.650 -22.649 1.00 0.00 C ATOM 720 CG2 ILE A 11 24.056 0.152 -23.454 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.953 0.829 -22.409 1.00 0.00 C ATOM 0 H ILE A 11 24.039 3.476 -22.968 1.00 0.00 H new ATOM 0 HA ILE A 11 24.125 1.881 -25.513 1.00 0.00 H new ATOM 0 HB ILE A 11 22.239 0.590 -24.526 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.876 1.593 -21.778 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.969 2.701 -22.788 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.618 -0.677 -22.898 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.570 -0.233 -24.335 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.769 0.678 -22.819 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.436 1.208 -21.528 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.298 0.909 -23.277 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.220 -0.216 -22.251 1.00 0.00 H new ATOM 722 N TYR A 12 21.964 2.989 -26.381 1.00 0.00 N ATOM 723 CA TYR A 12 20.885 3.863 -26.929 1.00 0.00 C ATOM 724 C TYR A 12 19.661 2.999 -27.280 1.00 0.00 C ATOM 725 O TYR A 12 19.746 2.099 -28.113 1.00 0.00 O ATOM 726 CB TYR A 12 21.409 4.568 -28.190 1.00 0.00 C ATOM 727 CG TYR A 12 20.300 5.354 -28.859 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.384 4.699 -29.690 1.00 0.00 C ATOM 729 CD2 TYR A 12 20.192 6.734 -28.649 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.360 5.423 -30.312 1.00 0.00 C ATOM 731 CE2 TYR A 12 19.168 7.458 -29.271 1.00 0.00 C ATOM 732 CZ TYR A 12 18.253 6.803 -30.103 1.00 0.00 C ATOM 733 OH TYR A 12 17.244 7.518 -30.718 1.00 0.00 O ATOM 0 H TYR A 12 22.274 2.242 -27.003 1.00 0.00 H new ATOM 0 HA TYR A 12 20.594 4.609 -26.190 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.228 5.237 -27.926 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.811 3.831 -28.885 1.00 0.00 H new ATOM 0 HD1 TYR A 12 19.467 3.634 -29.851 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.898 7.240 -28.007 1.00 0.00 H new ATOM 0 HE1 TYR A 12 17.653 4.917 -30.953 1.00 0.00 H new ATOM 0 HE2 TYR A 12 19.084 8.522 -29.109 1.00 0.00 H new ATOM 0 HH TYR A 12 16.582 6.897 -31.088 1.00 0.00 H new ATOM 734 N ILE A 13 18.523 3.258 -26.672 1.00 0.00 N ATOM 735 CA ILE A 13 17.310 2.450 -26.990 1.00 0.00 C ATOM 736 C ILE A 13 16.420 3.241 -27.960 1.00 0.00 C ATOM 737 O ILE A 13 16.411 4.471 -27.941 1.00 0.00 O ATOM 738 CB ILE A 13 16.535 2.163 -25.702 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.466 1.497 -24.676 1.00 0.00 C ATOM 740 CG2 ILE A 13 15.363 1.229 -26.011 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.200 2.083 -23.288 1.00 0.00 C ATOM 0 H ILE A 13 18.388 3.990 -25.975 1.00 0.00 H new ATOM 0 HA ILE A 13 17.606 1.507 -27.449 1.00 0.00 H new ATOM 0 HB ILE A 13 16.157 3.099 -25.291 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.301 0.420 -24.665 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.507 1.657 -24.956 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.810 1.024 -25.094 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.701 1.703 -26.736 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.742 0.294 -26.423 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.860 1.610 -22.561 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.387 3.157 -23.304 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.162 1.900 -23.009 1.00 0.00 H new ATOM 742 N ASN A 14 15.672 2.571 -28.811 1.00 0.00 N ATOM 743 CA ASN A 14 14.796 3.307 -29.770 1.00 0.00 C ATOM 744 C ASN A 14 13.369 2.745 -29.703 1.00 0.00 C ATOM 745 O ASN A 14 13.114 1.756 -29.016 1.00 0.00 O ATOM 746 CB ASN A 14 15.343 3.141 -31.189 1.00 0.00 C ATOM 747 CG ASN A 14 15.065 4.414 -31.998 1.00 0.00 C ATOM 748 OD1 ASN A 14 15.572 5.483 -31.668 1.00 0.00 O ATOM 749 ND2 ASN A 14 14.282 4.363 -33.049 1.00 0.00 N ATOM 0 H ASN A 14 15.634 1.554 -28.879 1.00 0.00 H new ATOM 0 HA ASN A 14 14.780 4.364 -29.506 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.415 2.945 -31.156 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.877 2.282 -31.671 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.096 5.209 -33.588 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.859 3.478 -33.327 1.00 0.00 H new ATOM 750 N ASN A 15 12.429 3.350 -30.398 1.00 0.00 N ATOM 751 CA ASN A 15 11.029 2.839 -30.360 1.00 0.00 C ATOM 752 C ASN A 15 10.517 2.865 -28.911 1.00 0.00 C ATOM 753 O ASN A 15 10.099 1.842 -28.370 1.00 0.00 O ATOM 754 CB ASN A 15 10.994 1.403 -30.894 1.00 0.00 C ATOM 755 CG ASN A 15 9.646 1.143 -31.577 1.00 0.00 C ATOM 756 OD1 ASN A 15 8.938 2.082 -31.934 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.245 -0.089 -31.784 1.00 0.00 N ATOM 0 H ASN A 15 12.576 4.171 -30.985 1.00 0.00 H new ATOM 0 HA ASN A 15 10.392 3.469 -30.981 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.808 1.247 -31.602 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.142 0.696 -30.077 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.349 -0.264 -32.239 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.829 -0.872 -31.490 1.00 0.00 H new ATOM 758 N LEU A 16 10.540 4.012 -28.265 1.00 0.00 N ATOM 759 CA LEU A 16 10.055 4.080 -26.855 1.00 0.00 C ATOM 760 C LEU A 16 8.636 4.669 -26.822 1.00 0.00 C ATOM 761 O LEU A 16 8.317 5.486 -25.961 1.00 0.00 O ATOM 762 CB LEU A 16 10.993 4.970 -26.036 1.00 0.00 C ATOM 763 CG LEU A 16 12.171 4.138 -25.527 1.00 0.00 C ATOM 764 CD1 LEU A 16 13.143 3.872 -26.678 1.00 0.00 C ATOM 765 CD2 LEU A 16 12.894 4.904 -24.418 1.00 0.00 C ATOM 0 H LEU A 16 10.872 4.894 -28.654 1.00 0.00 H new ATOM 0 HA LEU A 16 10.039 3.076 -26.431 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.355 5.796 -26.649 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.454 5.409 -25.196 1.00 0.00 H new ATOM 0 HG LEU A 16 11.803 3.190 -25.135 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.983 3.279 -26.315 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.629 3.327 -27.470 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.511 4.820 -27.070 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.734 4.312 -24.055 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.262 5.852 -24.811 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.203 5.095 -23.597 1.00 0.00 H new ATOM 766 N ASN A 17 7.766 4.251 -27.721 1.00 0.00 N ATOM 767 CA ASN A 17 6.373 4.768 -27.720 1.00 0.00 C ATOM 768 C ASN A 17 6.354 6.302 -27.819 1.00 0.00 C ATOM 769 O ASN A 17 7.356 6.971 -27.575 1.00 0.00 O ATOM 770 CB ASN A 17 5.710 4.314 -26.432 1.00 0.00 C ATOM 771 CG ASN A 17 4.200 4.159 -26.651 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.767 3.738 -27.722 1.00 0.00 O ATOM 773 ND2 ASN A 17 3.365 4.476 -25.692 1.00 0.00 N ATOM 0 H ASN A 17 7.972 3.572 -28.453 1.00 0.00 H new ATOM 0 HA ASN A 17 5.834 4.381 -28.585 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.139 3.366 -26.106 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.899 5.038 -25.640 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.360 4.373 -25.836 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.720 4.826 -24.802 1.00 0.00 H new ATOM 774 N GLU A 18 5.230 6.871 -28.187 1.00 0.00 N ATOM 775 CA GLU A 18 5.148 8.355 -28.307 1.00 0.00 C ATOM 776 C GLU A 18 4.135 8.896 -27.286 1.00 0.00 C ATOM 777 O GLU A 18 3.245 9.671 -27.630 1.00 0.00 O ATOM 778 CB GLU A 18 4.698 8.726 -29.724 1.00 0.00 C ATOM 779 CG GLU A 18 5.773 8.311 -30.732 1.00 0.00 C ATOM 780 CD GLU A 18 5.105 7.738 -31.984 1.00 0.00 C ATOM 781 OE1 GLU A 18 4.743 8.520 -32.848 1.00 0.00 O ATOM 782 OE2 GLU A 18 4.965 6.529 -32.057 1.00 0.00 O ATOM 0 H GLU A 18 4.370 6.370 -28.408 1.00 0.00 H new ATOM 0 HA GLU A 18 6.127 8.792 -28.111 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.756 8.231 -29.958 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.519 9.799 -29.790 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.389 9.170 -30.997 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.435 7.568 -30.288 1.00 0.00 H new ATOM 783 N LYS A 19 4.248 8.507 -26.033 1.00 0.00 N ATOM 784 CA LYS A 19 3.286 9.008 -25.007 1.00 0.00 C ATOM 785 C LYS A 19 3.949 9.003 -23.619 1.00 0.00 C ATOM 786 O LYS A 19 3.306 8.692 -22.617 1.00 0.00 O ATOM 787 CB LYS A 19 2.050 8.104 -24.983 1.00 0.00 C ATOM 788 CG LYS A 19 1.428 8.058 -26.379 1.00 0.00 C ATOM 789 CD LYS A 19 0.077 7.344 -26.312 1.00 0.00 C ATOM 790 CE LYS A 19 -0.778 7.756 -27.513 1.00 0.00 C ATOM 791 NZ LYS A 19 -1.731 6.659 -27.844 1.00 0.00 N ATOM 0 H LYS A 19 4.962 7.868 -25.684 1.00 0.00 H new ATOM 0 HA LYS A 19 2.992 10.027 -25.260 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.327 7.100 -24.663 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.325 8.480 -24.262 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.298 9.069 -26.764 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.093 7.537 -27.068 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.224 6.264 -26.310 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.435 7.598 -25.384 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.325 8.671 -27.287 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.140 7.969 -28.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.312 6.938 -28.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.200 5.796 -28.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.347 6.476 -27.026 1.00 0.00 H new ATOM 792 N ILE A 20 5.219 9.338 -23.534 1.00 0.00 N ATOM 793 CA ILE A 20 5.899 9.345 -22.204 1.00 0.00 C ATOM 794 C ILE A 20 5.786 10.739 -21.581 1.00 0.00 C ATOM 795 O ILE A 20 5.650 11.736 -22.288 1.00 0.00 O ATOM 796 CB ILE A 20 7.385 8.982 -22.357 1.00 0.00 C ATOM 797 CG1 ILE A 20 7.564 7.793 -23.320 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.954 8.613 -20.985 1.00 0.00 C ATOM 799 CD1 ILE A 20 6.738 6.597 -22.843 1.00 0.00 C ATOM 0 H ILE A 20 5.806 9.604 -24.324 1.00 0.00 H new ATOM 0 HA ILE A 20 5.417 8.608 -21.562 1.00 0.00 H new ATOM 0 HB ILE A 20 7.915 9.842 -22.767 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.255 8.080 -24.325 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.617 7.517 -23.377 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.008 8.354 -21.086 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.852 9.462 -20.309 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.408 7.760 -20.582 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.873 5.763 -23.532 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.067 6.301 -21.847 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.684 6.873 -22.810 1.00 0.00 H new ATOM 800 N LYS A 21 5.837 10.836 -20.269 1.00 0.00 N ATOM 801 CA LYS A 21 5.728 12.175 -19.627 1.00 0.00 C ATOM 802 C LYS A 21 7.100 12.663 -19.119 1.00 0.00 C ATOM 803 O LYS A 21 7.157 13.442 -18.178 1.00 0.00 O ATOM 804 CB LYS A 21 4.748 12.099 -18.454 1.00 0.00 C ATOM 805 CG LYS A 21 4.020 13.436 -18.307 1.00 0.00 C ATOM 806 CD LYS A 21 2.689 13.378 -19.061 1.00 0.00 C ATOM 807 CE LYS A 21 1.642 14.204 -18.312 1.00 0.00 C ATOM 808 NZ LYS A 21 1.982 15.651 -18.417 1.00 0.00 N ATOM 0 H LYS A 21 5.948 10.051 -19.628 1.00 0.00 H new ATOM 0 HA LYS A 21 5.367 12.884 -20.372 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.028 11.298 -18.620 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.283 11.862 -17.535 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.844 13.653 -17.253 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.638 14.244 -18.700 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.815 13.763 -20.073 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.355 12.344 -19.152 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.652 14.021 -18.730 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.607 13.903 -17.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.227 16.218 -17.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.880 15.833 -17.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.077 15.913 -19.419 1.00 0.00 H new ATOM 809 N LYS A 22 8.193 12.246 -19.740 1.00 0.00 N ATOM 810 CA LYS A 22 9.566 12.702 -19.317 1.00 0.00 C ATOM 811 C LYS A 22 10.007 12.042 -17.997 1.00 0.00 C ATOM 812 O LYS A 22 10.776 11.082 -18.017 1.00 0.00 O ATOM 813 CB LYS A 22 9.608 14.236 -19.193 1.00 0.00 C ATOM 814 CG LYS A 22 10.491 14.827 -20.297 1.00 0.00 C ATOM 815 CD LYS A 22 11.963 14.740 -19.882 1.00 0.00 C ATOM 816 CE LYS A 22 12.706 15.993 -20.353 1.00 0.00 C ATOM 817 NZ LYS A 22 14.081 15.620 -20.789 1.00 0.00 N ATOM 0 H LYS A 22 8.188 11.602 -20.531 1.00 0.00 H new ATOM 0 HA LYS A 22 10.269 12.390 -20.090 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.599 14.643 -19.266 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.996 14.520 -18.215 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.334 14.286 -21.230 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.215 15.866 -20.480 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.041 14.645 -18.799 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.421 13.850 -20.314 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.166 16.461 -21.176 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.755 16.725 -19.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.551 16.450 -21.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.627 15.286 -19.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.026 14.863 -21.500 1.00 0.00 H new ATOM 818 N ASP A 23 9.555 12.510 -16.852 1.00 0.00 N ATOM 819 CA ASP A 23 9.975 11.863 -15.573 1.00 0.00 C ATOM 820 C ASP A 23 9.561 10.388 -15.603 1.00 0.00 C ATOM 821 O ASP A 23 10.175 9.557 -14.938 1.00 0.00 O ATOM 822 CB ASP A 23 9.308 12.552 -14.373 1.00 0.00 C ATOM 823 CG ASP A 23 10.208 13.680 -13.866 1.00 0.00 C ATOM 824 OD1 ASP A 23 10.189 14.742 -14.466 1.00 0.00 O ATOM 825 OD2 ASP A 23 10.902 13.463 -12.885 1.00 0.00 O ATOM 0 H ASP A 23 8.921 13.303 -16.753 1.00 0.00 H new ATOM 0 HA ASP A 23 11.056 11.952 -15.469 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.336 12.951 -14.663 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.131 11.828 -13.577 1.00 0.00 H new ATOM 826 N GLU A 24 8.532 10.034 -16.354 1.00 0.00 N ATOM 827 CA GLU A 24 8.117 8.607 -16.390 1.00 0.00 C ATOM 828 C GLU A 24 9.213 7.764 -17.053 1.00 0.00 C ATOM 829 O GLU A 24 9.521 6.665 -16.593 1.00 0.00 O ATOM 830 CB GLU A 24 6.806 8.442 -17.171 1.00 0.00 C ATOM 831 CG GLU A 24 5.691 9.218 -16.468 1.00 0.00 C ATOM 832 CD GLU A 24 5.011 8.315 -15.438 1.00 0.00 C ATOM 833 OE1 GLU A 24 4.217 7.481 -15.843 1.00 0.00 O ATOM 834 OE2 GLU A 24 5.295 8.472 -14.262 1.00 0.00 O ATOM 0 H GLU A 24 7.978 10.668 -16.930 1.00 0.00 H new ATOM 0 HA GLU A 24 7.961 8.269 -15.366 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.930 8.806 -18.191 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.542 7.387 -17.239 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.101 10.101 -15.978 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.961 9.568 -17.198 1.00 0.00 H new ATOM 835 N LEU A 25 9.812 8.239 -18.127 1.00 0.00 N ATOM 836 CA LEU A 25 10.882 7.422 -18.790 1.00 0.00 C ATOM 837 C LEU A 25 12.140 7.330 -17.906 1.00 0.00 C ATOM 838 O LEU A 25 12.930 6.399 -18.058 1.00 0.00 O ATOM 839 CB LEU A 25 11.260 8.031 -20.146 1.00 0.00 C ATOM 840 CG LEU A 25 11.649 6.914 -21.118 1.00 0.00 C ATOM 841 CD1 LEU A 25 10.413 6.078 -21.470 1.00 0.00 C ATOM 842 CD2 LEU A 25 12.228 7.531 -22.393 1.00 0.00 C ATOM 0 H LEU A 25 9.610 9.138 -18.564 1.00 0.00 H new ATOM 0 HA LEU A 25 10.484 6.419 -18.940 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.422 8.601 -20.547 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.090 8.727 -20.025 1.00 0.00 H new ATOM 0 HG LEU A 25 12.395 6.271 -20.650 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.695 5.285 -22.162 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.001 5.638 -20.562 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.663 6.716 -21.937 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.506 6.738 -23.087 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.481 8.175 -22.858 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.110 8.121 -22.144 1.00 0.00 H new ATOM 843 N LYS A 26 12.361 8.252 -16.992 1.00 0.00 N ATOM 844 CA LYS A 26 13.584 8.158 -16.131 1.00 0.00 C ATOM 845 C LYS A 26 13.359 7.137 -14.999 1.00 0.00 C ATOM 846 O LYS A 26 14.298 6.466 -14.572 1.00 0.00 O ATOM 847 CB LYS A 26 13.914 9.528 -15.523 1.00 0.00 C ATOM 848 CG LYS A 26 14.710 10.357 -16.533 1.00 0.00 C ATOM 849 CD LYS A 26 14.851 11.790 -16.017 1.00 0.00 C ATOM 850 CE LYS A 26 15.895 11.832 -14.901 1.00 0.00 C ATOM 851 NZ LYS A 26 17.247 12.045 -15.494 1.00 0.00 N ATOM 0 H LYS A 26 11.756 9.053 -16.809 1.00 0.00 H new ATOM 0 HA LYS A 26 14.418 7.831 -16.752 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.995 10.049 -15.253 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.490 9.402 -14.606 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.695 9.916 -16.686 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.206 10.355 -17.499 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.146 12.453 -16.830 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.892 12.150 -15.645 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.663 12.634 -14.201 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.877 10.900 -14.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.962 12.040 -14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.453 11.283 -16.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.270 12.961 -15.986 1.00 0.00 H new ATOM 852 N LYS A 27 12.147 7.000 -14.499 1.00 0.00 N ATOM 853 CA LYS A 27 11.910 6.012 -13.397 1.00 0.00 C ATOM 854 C LYS A 27 11.952 4.581 -13.960 1.00 0.00 C ATOM 855 O LYS A 27 12.420 3.661 -13.290 1.00 0.00 O ATOM 856 CB LYS A 27 10.541 6.262 -12.744 1.00 0.00 C ATOM 857 CG LYS A 27 10.670 6.172 -11.221 1.00 0.00 C ATOM 858 CD LYS A 27 10.454 4.725 -10.774 1.00 0.00 C ATOM 859 CE LYS A 27 9.841 4.708 -9.372 1.00 0.00 C ATOM 860 NZ LYS A 27 10.929 4.753 -8.354 1.00 0.00 N ATOM 0 H LYS A 27 11.325 7.522 -14.803 1.00 0.00 H new ATOM 0 HA LYS A 27 12.692 6.132 -12.647 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.166 7.245 -13.029 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.818 5.529 -13.101 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.655 6.517 -10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.938 6.824 -10.744 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.797 4.211 -11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.403 4.188 -10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.174 5.560 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.239 3.809 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.513 4.741 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.549 3.926 -8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.485 5.623 -8.479 1.00 0.00 H new ATOM 861 N SER A 28 11.474 4.362 -15.169 1.00 0.00 N ATOM 862 CA SER A 28 11.501 2.974 -15.732 1.00 0.00 C ATOM 863 C SER A 28 12.936 2.603 -16.144 1.00 0.00 C ATOM 864 O SER A 28 13.360 1.464 -15.968 1.00 0.00 O ATOM 865 CB SER A 28 10.584 2.879 -16.958 1.00 0.00 C ATOM 866 OG SER A 28 9.299 3.383 -16.623 1.00 0.00 O ATOM 0 H SER A 28 11.073 5.075 -15.779 1.00 0.00 H new ATOM 0 HA SER A 28 11.150 2.283 -14.966 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.006 3.448 -17.787 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.506 1.843 -17.289 1.00 0.00 H new ATOM 0 HG SER A 28 8.618 2.926 -17.159 1.00 0.00 H new ATOM 867 N LEU A 29 13.694 3.530 -16.691 1.00 0.00 N ATOM 868 CA LEU A 29 15.096 3.191 -17.108 1.00 0.00 C ATOM 869 C LEU A 29 15.962 2.884 -15.874 1.00 0.00 C ATOM 870 O LEU A 29 16.859 2.044 -15.933 1.00 0.00 O ATOM 871 CB LEU A 29 15.720 4.361 -17.882 1.00 0.00 C ATOM 872 CG LEU A 29 14.974 4.556 -19.202 1.00 0.00 C ATOM 873 CD1 LEU A 29 15.284 5.945 -19.763 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.424 3.490 -20.203 1.00 0.00 C ATOM 0 H LEU A 29 13.407 4.493 -16.865 1.00 0.00 H new ATOM 0 HA LEU A 29 15.056 2.311 -17.750 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.671 5.272 -17.286 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.774 4.163 -18.074 1.00 0.00 H new ATOM 0 HG LEU A 29 13.901 4.465 -19.030 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.752 6.084 -20.704 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.965 6.705 -19.050 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.356 6.037 -19.935 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.893 3.628 -21.145 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.497 3.582 -20.375 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.204 2.500 -19.804 1.00 0.00 H new ATOM 875 N HIS A 30 15.729 3.545 -14.761 1.00 0.00 N ATOM 876 CA HIS A 30 16.567 3.273 -13.545 1.00 0.00 C ATOM 877 C HIS A 30 16.240 1.900 -12.926 1.00 0.00 C ATOM 878 O HIS A 30 17.038 1.372 -12.157 1.00 0.00 O ATOM 879 CB HIS A 30 16.336 4.365 -12.491 1.00 0.00 C ATOM 880 CG HIS A 30 17.601 4.581 -11.706 1.00 0.00 C ATOM 881 ND1 HIS A 30 18.833 5.066 -12.067 1.00 0.00 N flip ATOM 882 CD2 HIS A 30 17.693 4.283 -10.355 1.00 0.00 C flip ATOM 883 CE1 HIS A 30 19.678 5.069 -10.962 1.00 0.00 C flip ATOM 884 NE2 HIS A 30 18.941 4.589 -9.956 1.00 0.00 N flip ATOM 0 H HIS A 30 15.004 4.253 -14.642 1.00 0.00 H new ATOM 0 HA HIS A 30 17.610 3.271 -13.861 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.033 5.294 -12.975 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.526 4.074 -11.822 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.906 3.879 -9.736 1.00 0.00 H new ATOM 0 HE1 HIS A 30 20.708 5.390 -10.925 1.00 0.00 H new ATOM 0 HE2 HIS A 30 19.283 4.469 -9.002 1.00 0.00 H new ATOM 885 N ALA A 31 15.101 1.303 -13.217 1.00 0.00 N ATOM 886 CA ALA A 31 14.789 -0.029 -12.605 1.00 0.00 C ATOM 887 C ALA A 31 15.330 -1.157 -13.502 1.00 0.00 C ATOM 888 O ALA A 31 16.035 -2.049 -13.034 1.00 0.00 O ATOM 889 CB ALA A 31 13.272 -0.187 -12.448 1.00 0.00 C ATOM 0 H ALA A 31 14.387 1.676 -13.842 1.00 0.00 H new ATOM 0 HA ALA A 31 15.263 -0.087 -11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.051 -1.157 -12.003 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.889 0.604 -11.803 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.796 -0.120 -13.426 1.00 0.00 H new ATOM 890 N ILE A 32 15.001 -1.149 -14.775 1.00 0.00 N ATOM 891 CA ILE A 32 15.485 -2.229 -15.682 1.00 0.00 C ATOM 892 C ILE A 32 17.022 -2.260 -15.713 1.00 0.00 C ATOM 893 O ILE A 32 17.632 -3.323 -15.606 1.00 0.00 O ATOM 894 CB ILE A 32 14.973 -2.050 -17.133 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.603 -0.599 -17.492 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.754 -2.940 -17.364 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.659 -0.420 -19.011 1.00 0.00 C ATOM 0 H ILE A 32 14.418 -0.439 -15.220 1.00 0.00 H new ATOM 0 HA ILE A 32 15.092 -3.165 -15.284 1.00 0.00 H new ATOM 0 HB ILE A 32 15.802 -2.336 -17.780 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.604 -0.365 -17.124 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.291 0.094 -17.008 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.397 -2.811 -18.386 1.00 0.00 H new ATOM 0 HG22 ILE A 32 14.029 -3.983 -17.205 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.964 -2.663 -16.666 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.397 0.607 -19.266 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.667 -0.637 -19.366 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.953 -1.103 -19.484 1.00 0.00 H new ATOM 898 N PHE A 33 17.662 -1.130 -15.897 1.00 0.00 N ATOM 899 CA PHE A 33 19.162 -1.121 -15.979 1.00 0.00 C ATOM 900 C PHE A 33 19.826 -0.878 -14.606 1.00 0.00 C ATOM 901 O PHE A 33 20.929 -0.336 -14.546 1.00 0.00 O ATOM 902 CB PHE A 33 19.607 -0.014 -16.941 1.00 0.00 C ATOM 903 CG PHE A 33 19.052 -0.287 -18.318 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.274 -1.525 -18.930 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.316 0.701 -18.983 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.761 -1.775 -20.209 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.803 0.452 -20.261 1.00 0.00 C ATOM 908 CZ PHE A 33 18.025 -0.786 -20.874 1.00 0.00 C ATOM 0 H PHE A 33 17.216 -0.218 -15.994 1.00 0.00 H new ATOM 0 HA PHE A 33 19.475 -2.103 -16.334 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.259 0.955 -16.583 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.695 0.033 -16.979 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.841 -2.288 -18.417 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.144 1.656 -18.509 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.933 -2.730 -20.683 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.236 1.215 -20.774 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.629 -0.979 -21.860 1.00 0.00 H new ATOM 909 N SER A 34 19.214 -1.268 -13.510 1.00 0.00 N ATOM 910 CA SER A 34 19.865 -1.048 -12.181 1.00 0.00 C ATOM 911 C SER A 34 20.292 -2.399 -11.584 1.00 0.00 C ATOM 912 O SER A 34 21.451 -2.587 -11.220 1.00 0.00 O ATOM 913 CB SER A 34 18.884 -0.362 -11.232 1.00 0.00 C ATOM 914 OG SER A 34 19.172 -0.748 -9.894 1.00 0.00 O ATOM 0 H SER A 34 18.302 -1.724 -13.480 1.00 0.00 H new ATOM 0 HA SER A 34 20.742 -0.415 -12.314 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.959 0.721 -11.334 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.861 -0.636 -11.489 1.00 0.00 H new ATOM 0 HG SER A 34 18.544 -0.307 -9.284 1.00 0.00 H new ATOM 915 N ARG A 35 19.381 -3.345 -11.462 1.00 0.00 N ATOM 916 CA ARG A 35 19.750 -4.680 -10.872 1.00 0.00 C ATOM 917 C ARG A 35 21.037 -5.226 -11.523 1.00 0.00 C ATOM 918 O ARG A 35 21.841 -5.881 -10.860 1.00 0.00 O ATOM 919 CB ARG A 35 18.613 -5.690 -11.087 1.00 0.00 C ATOM 920 CG ARG A 35 18.314 -5.821 -12.582 1.00 0.00 C ATOM 921 CD ARG A 35 16.844 -6.199 -12.776 1.00 0.00 C ATOM 922 NE ARG A 35 16.552 -7.455 -12.031 1.00 0.00 N ATOM 923 CZ ARG A 35 15.434 -7.575 -11.368 1.00 0.00 C ATOM 924 NH1 ARG A 35 15.125 -6.704 -10.447 1.00 0.00 N ATOM 925 NH2 ARG A 35 14.626 -8.566 -11.627 1.00 0.00 N ATOM 0 H ARG A 35 18.405 -3.251 -11.743 1.00 0.00 H new ATOM 0 HA ARG A 35 19.919 -4.540 -9.804 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.893 -6.660 -10.676 1.00 0.00 H new ATOM 0 HB3 ARG A 35 17.719 -5.364 -10.555 1.00 0.00 H new ATOM 0 HG2 ARG A 35 18.529 -4.881 -13.091 1.00 0.00 H new ATOM 0 HG3 ARG A 35 18.958 -6.579 -13.028 1.00 0.00 H new ATOM 0 HD2 ARG A 35 16.201 -5.394 -12.420 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.629 -6.334 -13.836 1.00 0.00 H new ATOM 0 HE ARG A 35 17.225 -8.221 -12.039 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.757 -5.929 -10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.251 -6.798 -9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.868 -9.247 -12.347 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.752 -8.660 -11.109 1.00 0.00 H new ATOM 926 N PHE A 36 21.257 -4.979 -12.799 1.00 0.00 N ATOM 927 CA PHE A 36 22.504 -5.502 -13.450 1.00 0.00 C ATOM 928 C PHE A 36 23.734 -4.985 -12.686 1.00 0.00 C ATOM 929 O PHE A 36 24.545 -5.769 -12.196 1.00 0.00 O ATOM 930 CB PHE A 36 22.584 -5.034 -14.910 1.00 0.00 C ATOM 931 CG PHE A 36 21.543 -5.759 -15.728 1.00 0.00 C ATOM 932 CD1 PHE A 36 21.824 -7.025 -16.255 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.296 -5.166 -15.960 1.00 0.00 C ATOM 934 CE1 PHE A 36 20.858 -7.698 -17.014 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.330 -5.839 -16.718 1.00 0.00 C ATOM 936 CZ PHE A 36 19.611 -7.105 -17.245 1.00 0.00 C ATOM 0 H PHE A 36 20.636 -4.446 -13.408 1.00 0.00 H new ATOM 0 HA PHE A 36 22.481 -6.592 -13.428 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.422 -3.958 -14.968 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.578 -5.229 -15.312 1.00 0.00 H new ATOM 0 HD1 PHE A 36 22.786 -7.483 -16.076 1.00 0.00 H new ATOM 0 HD2 PHE A 36 20.079 -4.189 -15.554 1.00 0.00 H new ATOM 0 HE1 PHE A 36 21.075 -8.674 -17.421 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.368 -5.381 -16.896 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.866 -7.624 -17.830 1.00 0.00 H new ATOM 937 N GLY A 37 23.893 -3.684 -12.573 1.00 0.00 N ATOM 938 CA GLY A 37 25.075 -3.141 -11.837 1.00 0.00 C ATOM 939 C GLY A 37 24.731 -1.770 -11.235 1.00 0.00 C ATOM 940 O GLY A 37 23.975 -1.678 -10.269 1.00 0.00 O ATOM 0 H GLY A 37 23.259 -2.983 -12.957 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.371 -3.831 -11.047 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.925 -3.048 -12.514 1.00 0.00 H new ATOM 941 N GLN A 38 25.265 -0.699 -11.784 1.00 0.00 N ATOM 942 CA GLN A 38 24.955 0.652 -11.234 1.00 0.00 C ATOM 943 C GLN A 38 24.770 1.640 -12.394 1.00 0.00 C ATOM 944 O GLN A 38 25.526 1.620 -13.364 1.00 0.00 O ATOM 945 CB GLN A 38 26.111 1.119 -10.346 1.00 0.00 C ATOM 946 CG GLN A 38 25.719 2.422 -9.645 1.00 0.00 C ATOM 947 CD GLN A 38 26.932 2.983 -8.892 1.00 0.00 C ATOM 948 OE1 GLN A 38 27.505 2.304 -8.043 1.00 0.00 O ATOM 949 NE2 GLN A 38 27.362 4.194 -9.155 1.00 0.00 N ATOM 0 H GLN A 38 25.898 -0.708 -12.584 1.00 0.00 H new ATOM 0 HA GLN A 38 24.040 0.606 -10.643 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.349 0.353 -9.608 1.00 0.00 H new ATOM 0 HB3 GLN A 38 27.007 1.272 -10.947 1.00 0.00 H new ATOM 0 HG2 GLN A 38 25.364 3.148 -10.376 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.898 2.241 -8.951 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.890 4.761 -9.859 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.169 4.568 -8.656 1.00 0.00 H new ATOM 950 N ILE A 39 23.781 2.506 -12.323 1.00 0.00 N ATOM 951 CA ILE A 39 23.568 3.480 -13.431 1.00 0.00 C ATOM 952 C ILE A 39 24.166 4.840 -13.044 1.00 0.00 C ATOM 953 O ILE A 39 23.709 5.482 -12.099 1.00 0.00 O ATOM 954 CB ILE A 39 22.069 3.640 -13.696 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.449 2.263 -13.939 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.858 4.518 -14.931 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.926 2.365 -13.845 1.00 0.00 C ATOM 0 H ILE A 39 23.120 2.575 -11.549 1.00 0.00 H new ATOM 0 HA ILE A 39 24.058 3.111 -14.332 1.00 0.00 H new ATOM 0 HB ILE A 39 21.595 4.109 -12.834 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.739 1.890 -14.921 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.822 1.550 -13.204 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.790 4.631 -15.119 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.302 5.499 -14.761 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.331 4.051 -15.795 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.484 1.384 -14.018 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.646 2.719 -12.853 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.561 3.065 -14.597 1.00 0.00 H new ATOM 958 N LEU A 40 25.177 5.298 -13.750 1.00 0.00 N ATOM 959 CA LEU A 40 25.785 6.622 -13.402 1.00 0.00 C ATOM 960 C LEU A 40 24.785 7.742 -13.724 1.00 0.00 C ATOM 961 O LEU A 40 24.649 8.700 -12.965 1.00 0.00 O ATOM 962 CB LEU A 40 27.085 6.848 -14.201 1.00 0.00 C ATOM 963 CG LEU A 40 28.264 7.025 -13.240 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.491 5.726 -12.468 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.523 7.372 -14.037 1.00 0.00 C ATOM 0 H LEU A 40 25.602 4.817 -14.543 1.00 0.00 H new ATOM 0 HA LEU A 40 26.023 6.631 -12.338 1.00 0.00 H new ATOM 0 HB2 LEU A 40 27.268 6.001 -14.862 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.985 7.730 -14.833 1.00 0.00 H new ATOM 0 HG LEU A 40 28.044 7.830 -12.539 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.330 5.851 -11.784 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.594 5.478 -11.901 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.711 4.920 -13.168 1.00 0.00 H new ATOM 0 HD21 LEU A 40 30.363 7.498 -13.354 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.743 6.567 -14.738 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.361 8.298 -14.588 1.00 0.00 H new ATOM 966 N ASP A 41 24.081 7.649 -14.833 1.00 0.00 N ATOM 967 CA ASP A 41 23.099 8.725 -15.177 1.00 0.00 C ATOM 968 C ASP A 41 22.244 8.305 -16.386 1.00 0.00 C ATOM 969 O ASP A 41 22.698 7.559 -17.252 1.00 0.00 O ATOM 970 CB ASP A 41 23.856 10.010 -15.517 1.00 0.00 C ATOM 971 CG ASP A 41 22.990 11.221 -15.167 1.00 0.00 C ATOM 972 OD1 ASP A 41 21.976 11.407 -15.819 1.00 0.00 O ATOM 973 OD2 ASP A 41 23.355 11.942 -14.252 1.00 0.00 O ATOM 0 H ASP A 41 24.145 6.884 -15.504 1.00 0.00 H new ATOM 0 HA ASP A 41 22.444 8.892 -14.322 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.794 10.049 -14.964 1.00 0.00 H new ATOM 0 HB3 ASP A 41 24.110 10.025 -16.577 1.00 0.00 H new ATOM 974 N ILE A 42 21.016 8.771 -16.465 1.00 0.00 N ATOM 975 CA ILE A 42 20.149 8.399 -17.619 1.00 0.00 C ATOM 976 C ILE A 42 19.624 9.677 -18.289 1.00 0.00 C ATOM 977 O ILE A 42 18.864 10.434 -17.688 1.00 0.00 O ATOM 978 CB ILE A 42 18.968 7.561 -17.122 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.492 6.352 -16.344 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.146 7.078 -18.318 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.343 5.705 -15.570 1.00 0.00 C ATOM 0 H ILE A 42 20.584 9.390 -15.780 1.00 0.00 H new ATOM 0 HA ILE A 42 20.726 7.818 -18.339 1.00 0.00 H new ATOM 0 HB ILE A 42 18.340 8.169 -16.471 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.935 5.629 -17.029 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.279 6.662 -15.656 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.305 6.481 -17.964 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.772 7.938 -18.874 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.774 6.470 -18.969 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.717 4.844 -15.016 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.920 6.429 -14.873 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.571 5.380 -16.268 1.00 0.00 H new ATOM 982 N LEU A 43 20.014 9.941 -19.518 1.00 0.00 N ATOM 983 CA LEU A 43 19.528 11.179 -20.199 1.00 0.00 C ATOM 984 C LEU A 43 18.284 10.854 -21.039 1.00 0.00 C ATOM 985 O LEU A 43 18.189 9.785 -21.639 1.00 0.00 O ATOM 986 CB LEU A 43 20.627 11.730 -21.114 1.00 0.00 C ATOM 987 CG LEU A 43 21.537 12.665 -20.317 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.529 11.837 -19.499 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.305 13.571 -21.283 1.00 0.00 C ATOM 0 H LEU A 43 20.641 9.357 -20.070 1.00 0.00 H new ATOM 0 HA LEU A 43 19.274 11.924 -19.445 1.00 0.00 H new ATOM 0 HB2 LEU A 43 21.210 10.910 -21.534 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.182 12.266 -21.952 1.00 0.00 H new ATOM 0 HG LEU A 43 20.933 13.275 -19.645 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.178 12.504 -18.931 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.983 11.190 -18.813 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.134 11.227 -20.170 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.955 14.239 -20.717 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.909 12.959 -21.953 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.599 14.161 -21.867 1.00 0.00 H new ATOM 990 N VAL A 44 17.327 11.756 -21.102 1.00 0.00 N ATOM 991 CA VAL A 44 16.104 11.490 -21.914 1.00 0.00 C ATOM 992 C VAL A 44 15.815 12.711 -22.799 1.00 0.00 C ATOM 993 O VAL A 44 15.819 13.845 -22.324 1.00 0.00 O ATOM 994 CB VAL A 44 14.913 11.230 -20.986 1.00 0.00 C ATOM 995 CG1 VAL A 44 15.117 9.905 -20.248 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.795 12.367 -19.966 1.00 0.00 C ATOM 0 H VAL A 44 17.345 12.658 -20.627 1.00 0.00 H new ATOM 0 HA VAL A 44 16.263 10.612 -22.540 1.00 0.00 H new ATOM 0 HB VAL A 44 14.000 11.180 -21.580 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.269 9.722 -19.588 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.196 9.094 -20.972 1.00 0.00 H new ATOM 0 HG13 VAL A 44 16.032 9.955 -19.658 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.947 12.179 -19.308 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.709 12.421 -19.374 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.645 13.311 -20.489 1.00 0.00 H new ATOM 997 N SER A 45 15.573 12.511 -24.078 1.00 0.00 N ATOM 998 CA SER A 45 15.297 13.674 -24.969 1.00 0.00 C ATOM 999 C SER A 45 13.812 13.691 -25.358 1.00 0.00 C ATOM 1000 O SER A 45 13.239 12.657 -25.699 1.00 0.00 O ATOM 1001 CB SER A 45 16.152 13.560 -26.231 1.00 0.00 C ATOM 1002 OG SER A 45 17.416 14.171 -25.998 1.00 0.00 O ATOM 0 H SER A 45 15.556 11.599 -24.534 1.00 0.00 H new ATOM 0 HA SER A 45 15.541 14.597 -24.443 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.286 12.512 -26.501 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.650 14.043 -27.069 1.00 0.00 H new ATOM 0 HG SER A 45 17.766 14.530 -26.840 1.00 0.00 H new ATOM 1003 N ARG A 46 13.174 14.841 -25.320 1.00 0.00 N ATOM 1004 CA ARG A 46 11.732 14.905 -25.692 1.00 0.00 C ATOM 1005 C ARG A 46 11.554 15.833 -26.905 1.00 0.00 C ATOM 1006 O ARG A 46 10.591 16.595 -26.977 1.00 0.00 O ATOM 1007 CB ARG A 46 10.923 15.448 -24.512 1.00 0.00 C ATOM 1008 CG ARG A 46 9.450 15.071 -24.685 1.00 0.00 C ATOM 1009 CD ARG A 46 8.575 16.059 -23.912 1.00 0.00 C ATOM 1010 NE ARG A 46 7.274 15.414 -23.576 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.194 15.747 -24.228 1.00 0.00 C ATOM 1012 NH1 ARG A 46 5.926 17.005 -24.450 1.00 0.00 N ATOM 1013 NH2 ARG A 46 5.381 14.821 -24.659 1.00 0.00 N ATOM 0 H ARG A 46 13.593 15.731 -25.048 1.00 0.00 H new ATOM 0 HA ARG A 46 11.379 13.905 -25.945 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.306 15.040 -23.577 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.027 16.531 -24.454 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.183 15.082 -25.742 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.278 14.057 -24.323 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.083 16.375 -23.001 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.405 16.955 -24.509 1.00 0.00 H new ATOM 0 HE ARG A 46 7.228 14.713 -22.837 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.561 17.729 -24.114 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.081 17.264 -24.960 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.590 13.838 -24.486 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.537 15.081 -25.169 1.00 0.00 H new ATOM 1014 N SER A 47 12.457 15.788 -27.864 1.00 0.00 N ATOM 1015 CA SER A 47 12.317 16.670 -29.059 1.00 0.00 C ATOM 1016 C SER A 47 11.718 15.853 -30.217 1.00 0.00 C ATOM 1017 O SER A 47 11.660 14.627 -30.153 1.00 0.00 O ATOM 1018 CB SER A 47 13.692 17.209 -29.462 1.00 0.00 C ATOM 1019 OG SER A 47 14.446 16.166 -30.067 1.00 0.00 O ATOM 0 H SER A 47 13.277 15.181 -27.865 1.00 0.00 H new ATOM 0 HA SER A 47 11.661 17.508 -28.825 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.580 18.042 -30.156 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.216 17.592 -28.586 1.00 0.00 H new ATOM 0 HG SER A 47 15.327 16.508 -30.328 1.00 0.00 H new ATOM 1020 N LEU A 48 11.264 16.498 -31.272 1.00 0.00 N ATOM 1021 CA LEU A 48 10.670 15.723 -32.413 1.00 0.00 C ATOM 1022 C LEU A 48 11.710 14.734 -32.957 1.00 0.00 C ATOM 1023 O LEU A 48 11.409 13.561 -33.172 1.00 0.00 O ATOM 1024 CB LEU A 48 10.243 16.673 -33.539 1.00 0.00 C ATOM 1025 CG LEU A 48 9.103 16.047 -34.346 1.00 0.00 C ATOM 1026 CD1 LEU A 48 8.113 17.141 -34.778 1.00 0.00 C ATOM 1027 CD2 LEU A 48 9.678 15.352 -35.585 1.00 0.00 C ATOM 0 H LEU A 48 11.279 17.511 -31.391 1.00 0.00 H new ATOM 0 HA LEU A 48 9.795 15.183 -32.051 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.922 17.627 -33.120 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.091 16.881 -34.192 1.00 0.00 H new ATOM 0 HG LEU A 48 8.581 15.315 -33.729 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.303 16.692 -35.352 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.704 17.631 -33.894 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.630 17.877 -35.394 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.867 14.906 -36.161 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.202 16.082 -36.202 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.374 14.573 -35.275 1.00 0.00 H new ATOM 1028 N LYS A 49 12.929 15.175 -33.191 1.00 0.00 N ATOM 1029 CA LYS A 49 13.971 14.238 -33.726 1.00 0.00 C ATOM 1030 C LYS A 49 14.105 13.025 -32.792 1.00 0.00 C ATOM 1031 O LYS A 49 14.262 11.895 -33.250 1.00 0.00 O ATOM 1032 CB LYS A 49 15.329 14.949 -33.827 1.00 0.00 C ATOM 1033 CG LYS A 49 15.537 15.456 -35.255 1.00 0.00 C ATOM 1034 CD LYS A 49 16.340 16.758 -35.224 1.00 0.00 C ATOM 1035 CE LYS A 49 16.994 16.988 -36.588 1.00 0.00 C ATOM 1036 NZ LYS A 49 17.089 18.452 -36.852 1.00 0.00 N ATOM 0 H LYS A 49 13.243 16.133 -33.036 1.00 0.00 H new ATOM 0 HA LYS A 49 13.665 13.908 -34.719 1.00 0.00 H new ATOM 0 HB2 LYS A 49 15.368 15.782 -33.125 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.131 14.264 -33.553 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.063 14.706 -35.845 1.00 0.00 H new ATOM 0 HG3 LYS A 49 14.574 15.622 -35.737 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.687 17.595 -34.977 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.103 16.709 -34.447 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.987 16.539 -36.608 1.00 0.00 H new ATOM 0 HE3 LYS A 49 16.409 16.504 -37.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 17.533 18.609 -37.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 16.136 18.868 -36.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 17.664 18.902 -36.111 1.00 0.00 H new ATOM 1037 N MET A 50 14.050 13.228 -31.493 1.00 0.00 N ATOM 1038 CA MET A 50 14.178 12.076 -30.555 1.00 0.00 C ATOM 1039 C MET A 50 12.852 11.875 -29.807 1.00 0.00 C ATOM 1040 O MET A 50 12.771 12.090 -28.598 1.00 0.00 O ATOM 1041 CB MET A 50 15.299 12.360 -29.551 1.00 0.00 C ATOM 1042 CG MET A 50 16.648 12.365 -30.275 1.00 0.00 C ATOM 1043 SD MET A 50 17.701 13.663 -29.581 1.00 0.00 S ATOM 1044 CE MET A 50 18.698 12.597 -28.512 1.00 0.00 C ATOM 0 H MET A 50 13.923 14.138 -31.050 1.00 0.00 H new ATOM 0 HA MET A 50 14.415 11.172 -31.116 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.132 13.322 -29.066 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.299 11.603 -28.767 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.132 11.394 -30.170 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.500 12.534 -31.342 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.603 13.126 -28.214 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.123 12.332 -27.624 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.969 11.690 -29.053 1.00 0.00 H new ATOM 1045 N ARG A 51 11.807 11.466 -30.495 1.00 0.00 N ATOM 1046 CA ARG A 51 10.499 11.257 -29.808 1.00 0.00 C ATOM 1047 C ARG A 51 10.303 9.758 -29.526 1.00 0.00 C ATOM 1048 O ARG A 51 9.245 9.197 -29.809 1.00 0.00 O ATOM 1049 CB ARG A 51 9.364 11.764 -30.704 1.00 0.00 C ATOM 1050 CG ARG A 51 8.256 12.364 -29.835 1.00 0.00 C ATOM 1051 CD ARG A 51 8.533 13.852 -29.610 1.00 0.00 C ATOM 1052 NE ARG A 51 7.242 14.591 -29.530 1.00 0.00 N ATOM 1053 CZ ARG A 51 6.671 14.786 -28.373 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.221 13.770 -27.688 1.00 0.00 N ATOM 1055 NH2 ARG A 51 6.551 15.996 -27.900 1.00 0.00 N ATOM 0 H ARG A 51 11.809 11.271 -31.496 1.00 0.00 H new ATOM 0 HA ARG A 51 10.490 11.807 -28.867 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.742 12.514 -31.399 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.967 10.945 -31.304 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.288 12.233 -30.319 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.207 11.844 -28.879 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.102 13.992 -28.691 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.141 14.247 -30.424 1.00 0.00 H new ATOM 0 HE ARG A 51 6.804 14.945 -30.380 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.316 12.824 -28.057 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.775 13.922 -26.784 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.904 16.790 -28.435 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.105 16.148 -26.996 1.00 0.00 H new ATOM 1056 N GLY A 52 11.296 9.095 -28.973 1.00 0.00 N ATOM 1057 CA GLY A 52 11.146 7.635 -28.679 1.00 0.00 C ATOM 1058 C GLY A 52 12.530 6.982 -28.522 1.00 0.00 C ATOM 1059 O GLY A 52 12.856 6.022 -29.219 1.00 0.00 O ATOM 0 H GLY A 52 12.196 9.500 -28.715 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.565 7.498 -27.767 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.595 7.149 -29.484 1.00 0.00 H new ATOM 1060 N GLN A 53 13.354 7.480 -27.623 1.00 0.00 N ATOM 1061 CA GLN A 53 14.709 6.878 -27.436 1.00 0.00 C ATOM 1062 C GLN A 53 15.130 7.011 -25.964 1.00 0.00 C ATOM 1063 O GLN A 53 14.396 7.572 -25.152 1.00 0.00 O ATOM 1064 CB GLN A 53 15.736 7.594 -28.332 1.00 0.00 C ATOM 1065 CG GLN A 53 15.549 9.116 -28.260 1.00 0.00 C ATOM 1066 CD GLN A 53 16.053 9.639 -26.908 1.00 0.00 C ATOM 1067 OE1 GLN A 53 15.284 9.739 -25.955 1.00 0.00 O ATOM 1068 NE2 GLN A 53 17.310 9.981 -26.766 1.00 0.00 N ATOM 0 H GLN A 53 13.144 8.273 -27.017 1.00 0.00 H new ATOM 0 HA GLN A 53 14.671 5.824 -27.713 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.746 7.331 -28.018 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.625 7.257 -29.363 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.094 9.597 -29.072 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.496 9.369 -28.388 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.953 9.900 -27.554 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.646 10.328 -25.868 1.00 0.00 H new ATOM 1069 N ALA A 54 16.290 6.508 -25.595 1.00 0.00 N ATOM 1070 CA ALA A 54 16.721 6.621 -24.169 1.00 0.00 C ATOM 1071 C ALA A 54 18.256 6.571 -24.070 1.00 0.00 C ATOM 1072 O ALA A 54 18.930 6.045 -24.953 1.00 0.00 O ATOM 1073 CB ALA A 54 16.126 5.464 -23.366 1.00 0.00 C ATOM 0 H ALA A 54 16.945 6.031 -26.214 1.00 0.00 H new ATOM 0 HA ALA A 54 16.370 7.572 -23.768 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.439 5.545 -22.325 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.038 5.504 -23.422 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.476 4.517 -23.778 1.00 0.00 H new ATOM 1074 N PHE A 55 18.823 7.105 -23.008 1.00 0.00 N ATOM 1075 CA PHE A 55 20.307 7.080 -22.856 1.00 0.00 C ATOM 1076 C PHE A 55 20.656 6.482 -21.486 1.00 0.00 C ATOM 1077 O PHE A 55 20.295 7.043 -20.451 1.00 0.00 O ATOM 1078 CB PHE A 55 20.854 8.509 -22.926 1.00 0.00 C ATOM 1079 CG PHE A 55 20.990 8.939 -24.367 1.00 0.00 C ATOM 1080 CD1 PHE A 55 21.983 8.374 -25.177 1.00 0.00 C ATOM 1081 CD2 PHE A 55 20.129 9.911 -24.891 1.00 0.00 C ATOM 1082 CE1 PHE A 55 22.113 8.781 -26.510 1.00 0.00 C ATOM 1083 CE2 PHE A 55 20.261 10.319 -26.223 1.00 0.00 C ATOM 1084 CZ PHE A 55 21.253 9.754 -27.033 1.00 0.00 C ATOM 0 H PHE A 55 18.318 7.555 -22.245 1.00 0.00 H new ATOM 0 HA PHE A 55 20.746 6.480 -23.653 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.187 9.189 -22.396 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.823 8.561 -22.429 1.00 0.00 H new ATOM 0 HD1 PHE A 55 22.648 7.625 -24.773 1.00 0.00 H new ATOM 0 HD2 PHE A 55 19.363 10.346 -24.267 1.00 0.00 H new ATOM 0 HE1 PHE A 55 22.877 8.344 -27.135 1.00 0.00 H new ATOM 0 HE2 PHE A 55 19.598 11.070 -26.626 1.00 0.00 H new ATOM 0 HZ PHE A 55 21.355 10.069 -28.061 1.00 0.00 H new ATOM 1085 N VAL A 56 21.347 5.363 -21.442 1.00 0.00 N ATOM 1086 CA VAL A 56 21.697 4.768 -20.116 1.00 0.00 C ATOM 1087 C VAL A 56 23.204 4.486 -20.058 1.00 0.00 C ATOM 1088 O VAL A 56 23.689 3.540 -20.674 1.00 0.00 O ATOM 1089 CB VAL A 56 20.928 3.461 -19.910 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.133 2.972 -18.474 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.436 3.697 -20.157 1.00 0.00 C ATOM 0 H VAL A 56 21.678 4.845 -22.256 1.00 0.00 H new ATOM 0 HA VAL A 56 21.427 5.472 -19.329 1.00 0.00 H new ATOM 0 HB VAL A 56 21.297 2.711 -20.609 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.586 2.041 -18.325 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.195 2.802 -18.296 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.764 3.725 -17.777 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.891 2.765 -20.010 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.066 4.448 -19.459 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.287 4.047 -21.179 1.00 0.00 H new ATOM 1092 N ILE A 57 23.957 5.279 -19.327 1.00 0.00 N ATOM 1093 CA ILE A 57 25.425 5.034 -19.242 1.00 0.00 C ATOM 1094 C ILE A 57 25.731 4.299 -17.932 1.00 0.00 C ATOM 1095 O ILE A 57 25.374 4.770 -16.854 1.00 0.00 O ATOM 1096 CB ILE A 57 26.181 6.368 -19.264 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.676 7.244 -20.428 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.678 6.094 -19.438 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.241 8.613 -19.896 1.00 0.00 C ATOM 0 H ILE A 57 23.616 6.078 -18.792 1.00 0.00 H new ATOM 0 HA ILE A 57 25.742 4.431 -20.093 1.00 0.00 H new ATOM 0 HB ILE A 57 26.009 6.896 -18.326 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.464 7.366 -21.172 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.839 6.755 -20.927 1.00 0.00 H new ATOM 0 HG21 ILE A 57 28.221 7.039 -19.454 1.00 0.00 H new ATOM 0 HG22 ILE A 57 28.035 5.484 -18.608 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.844 5.564 -20.376 1.00 0.00 H new ATOM 0 HD11 ILE A 57 24.885 9.228 -20.722 1.00 0.00 H new ATOM 0 HD12 ILE A 57 24.439 8.483 -19.169 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.089 9.104 -19.417 1.00 0.00 H new ATOM 1100 N PHE A 58 26.381 3.158 -17.992 1.00 0.00 N ATOM 1101 CA PHE A 58 26.694 2.421 -16.733 1.00 0.00 C ATOM 1102 C PHE A 58 28.083 2.838 -16.232 1.00 0.00 C ATOM 1103 O PHE A 58 28.943 3.229 -17.020 1.00 0.00 O ATOM 1104 CB PHE A 58 26.683 0.911 -16.993 1.00 0.00 C ATOM 1105 CG PHE A 58 25.307 0.485 -17.447 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.954 0.592 -18.798 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.386 -0.023 -16.520 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.681 0.193 -19.222 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.114 -0.421 -16.946 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.761 -0.313 -18.296 1.00 0.00 C ATOM 0 H PHE A 58 26.703 2.713 -18.851 1.00 0.00 H new ATOM 0 HA PHE A 58 25.941 2.661 -15.982 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.422 0.657 -17.753 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.960 0.374 -16.086 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.664 0.982 -19.512 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.658 -0.107 -15.478 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.408 0.276 -20.264 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.404 -0.812 -16.232 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.779 -0.620 -18.623 1.00 0.00 H new ATOM 1111 N LYS A 59 28.329 2.766 -14.938 1.00 0.00 N ATOM 1112 CA LYS A 59 29.679 3.163 -14.405 1.00 0.00 C ATOM 1113 C LYS A 59 30.783 2.455 -15.211 1.00 0.00 C ATOM 1114 O LYS A 59 31.815 3.049 -15.524 1.00 0.00 O ATOM 1115 CB LYS A 59 29.806 2.765 -12.928 1.00 0.00 C ATOM 1116 CG LYS A 59 31.130 3.292 -12.368 1.00 0.00 C ATOM 1117 CD LYS A 59 31.515 2.486 -11.126 1.00 0.00 C ATOM 1118 CE LYS A 59 32.573 3.251 -10.329 1.00 0.00 C ATOM 1119 NZ LYS A 59 32.497 2.856 -8.894 1.00 0.00 N ATOM 0 H LYS A 59 27.660 2.453 -14.235 1.00 0.00 H new ATOM 0 HA LYS A 59 29.786 4.244 -14.498 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.971 3.171 -12.358 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.763 1.680 -12.828 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.913 3.214 -13.122 1.00 0.00 H new ATOM 0 HG3 LYS A 59 31.035 4.348 -12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 59 30.635 2.309 -10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 59 31.900 1.509 -11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 59 33.566 3.037 -10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 59 32.414 4.325 -10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 33.216 3.376 -8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 31.553 3.082 -8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 32.669 1.834 -8.806 1.00 0.00 H new ATOM 1120 N GLU A 60 30.588 1.201 -15.562 1.00 0.00 N ATOM 1121 CA GLU A 60 31.621 0.478 -16.349 1.00 0.00 C ATOM 1122 C GLU A 60 31.007 0.008 -17.676 1.00 0.00 C ATOM 1123 O GLU A 60 29.810 -0.267 -17.750 1.00 0.00 O ATOM 1124 CB GLU A 60 32.114 -0.734 -15.556 1.00 0.00 C ATOM 1125 CG GLU A 60 33.538 -1.086 -15.990 1.00 0.00 C ATOM 1126 CD GLU A 60 34.254 -1.814 -14.852 1.00 0.00 C ATOM 1127 OE1 GLU A 60 34.372 -1.235 -13.786 1.00 0.00 O ATOM 1128 OE2 GLU A 60 34.671 -2.942 -15.066 1.00 0.00 O ATOM 0 H GLU A 60 29.757 0.656 -15.334 1.00 0.00 H new ATOM 0 HA GLU A 60 32.461 1.143 -16.549 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.092 -0.516 -14.488 1.00 0.00 H new ATOM 0 HB3 GLU A 60 31.452 -1.584 -15.722 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.513 -1.715 -16.880 1.00 0.00 H new ATOM 0 HG3 GLU A 60 34.083 -0.180 -16.256 1.00 0.00 H new ATOM 1129 N VAL A 61 31.792 -0.091 -18.729 1.00 0.00 N ATOM 1130 CA VAL A 61 31.218 -0.548 -20.038 1.00 0.00 C ATOM 1131 C VAL A 61 30.679 -1.986 -19.903 1.00 0.00 C ATOM 1132 O VAL A 61 29.719 -2.352 -20.577 1.00 0.00 O ATOM 1133 CB VAL A 61 32.284 -0.481 -21.149 1.00 0.00 C ATOM 1134 CG1 VAL A 61 33.487 -1.348 -20.771 1.00 0.00 C ATOM 1135 CG2 VAL A 61 31.688 -0.977 -22.474 1.00 0.00 C ATOM 0 H VAL A 61 32.790 0.122 -18.738 1.00 0.00 H new ATOM 0 HA VAL A 61 30.396 0.115 -20.309 1.00 0.00 H new ATOM 0 HB VAL A 61 32.609 0.553 -21.265 1.00 0.00 H new ATOM 0 HG11 VAL A 61 34.236 -1.295 -21.561 1.00 0.00 H new ATOM 0 HG12 VAL A 61 33.918 -0.985 -19.838 1.00 0.00 H new ATOM 0 HG13 VAL A 61 33.165 -2.382 -20.644 1.00 0.00 H new ATOM 0 HG21 VAL A 61 32.446 -0.927 -23.255 1.00 0.00 H new ATOM 0 HG22 VAL A 61 31.353 -2.008 -22.359 1.00 0.00 H new ATOM 0 HG23 VAL A 61 30.841 -0.349 -22.750 1.00 0.00 H new ATOM 1136 N SER A 62 31.260 -2.810 -19.055 1.00 0.00 N ATOM 1137 CA SER A 62 30.738 -4.209 -18.909 1.00 0.00 C ATOM 1138 C SER A 62 29.300 -4.168 -18.365 1.00 0.00 C ATOM 1139 O SER A 62 28.458 -4.975 -18.758 1.00 0.00 O ATOM 1140 CB SER A 62 31.619 -5.014 -17.945 1.00 0.00 C ATOM 1141 OG SER A 62 32.969 -4.582 -18.070 1.00 0.00 O ATOM 0 H SER A 62 32.060 -2.577 -18.467 1.00 0.00 H new ATOM 0 HA SER A 62 30.752 -4.689 -19.887 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.275 -4.878 -16.920 1.00 0.00 H new ATOM 0 HB3 SER A 62 31.544 -6.078 -18.168 1.00 0.00 H new ATOM 0 HG SER A 62 33.534 -5.093 -17.454 1.00 0.00 H new ATOM 1142 N SER A 63 28.992 -3.253 -17.467 1.00 0.00 N ATOM 1143 CA SER A 63 27.596 -3.187 -16.918 1.00 0.00 C ATOM 1144 C SER A 63 26.585 -2.966 -18.059 1.00 0.00 C ATOM 1145 O SER A 63 25.460 -3.458 -17.997 1.00 0.00 O ATOM 1146 CB SER A 63 27.473 -2.040 -15.909 1.00 0.00 C ATOM 1147 OG SER A 63 27.870 -2.500 -14.624 1.00 0.00 O ATOM 0 H SER A 63 29.640 -2.558 -17.096 1.00 0.00 H new ATOM 0 HA SER A 63 27.381 -4.132 -16.419 1.00 0.00 H new ATOM 0 HB2 SER A 63 28.098 -1.201 -16.217 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.446 -1.677 -15.877 1.00 0.00 H new ATOM 0 HG SER A 63 27.794 -1.768 -13.977 1.00 0.00 H new ATOM 1148 N ALA A 64 26.950 -2.246 -19.104 1.00 0.00 N ATOM 1149 CA ALA A 64 25.985 -2.026 -20.226 1.00 0.00 C ATOM 1150 C ALA A 64 25.931 -3.278 -21.116 1.00 0.00 C ATOM 1151 O ALA A 64 24.905 -3.564 -21.728 1.00 0.00 O ATOM 1152 CB ALA A 64 26.412 -0.815 -21.071 1.00 0.00 C ATOM 0 H ALA A 64 27.864 -1.809 -19.222 1.00 0.00 H new ATOM 0 HA ALA A 64 24.998 -1.833 -19.805 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.700 -0.669 -21.883 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.436 0.076 -20.444 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.404 -0.993 -21.486 1.00 0.00 H new ATOM 1153 N THR A 65 27.008 -4.032 -21.214 1.00 0.00 N ATOM 1154 CA THR A 65 26.979 -5.250 -22.079 1.00 0.00 C ATOM 1155 C THR A 65 25.935 -6.247 -21.551 1.00 0.00 C ATOM 1156 O THR A 65 25.259 -6.914 -22.333 1.00 0.00 O ATOM 1157 CB THR A 65 28.356 -5.928 -22.107 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.372 -4.934 -22.078 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.485 -6.758 -23.384 1.00 0.00 C ATOM 0 H THR A 65 27.892 -3.855 -20.737 1.00 0.00 H new ATOM 0 HA THR A 65 26.714 -4.942 -23.090 1.00 0.00 H new ATOM 0 HB THR A 65 28.463 -6.579 -21.239 1.00 0.00 H new ATOM 0 HG1 THR A 65 30.252 -5.365 -22.094 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.462 -7.241 -23.407 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.704 -7.518 -23.404 1.00 0.00 H new ATOM 0 HG23 THR A 65 28.381 -6.108 -24.253 1.00 0.00 H new ATOM 1160 N ASN A 66 25.784 -6.373 -20.250 1.00 0.00 N ATOM 1161 CA ASN A 66 24.774 -7.340 -19.710 1.00 0.00 C ATOM 1162 C ASN A 66 23.373 -6.704 -19.738 1.00 0.00 C ATOM 1163 O ASN A 66 22.383 -7.382 -20.001 1.00 0.00 O ATOM 1164 CB ASN A 66 25.129 -7.725 -18.268 1.00 0.00 C ATOM 1165 CG ASN A 66 24.825 -9.211 -18.045 1.00 0.00 C ATOM 1166 OD1 ASN A 66 24.006 -9.558 -17.197 1.00 0.00 O ATOM 1167 ND2 ASN A 66 25.441 -10.120 -18.762 1.00 0.00 N ATOM 0 H ASN A 66 26.311 -5.854 -19.547 1.00 0.00 H new ATOM 0 HA ASN A 66 24.780 -8.235 -20.332 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.183 -7.526 -18.076 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.557 -7.117 -17.567 1.00 0.00 H new ATOM 0 HD21 ASN A 66 25.239 -11.109 -18.614 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.122 -9.838 -19.467 1.00 0.00 H new ATOM 1168 N ALA A 67 23.258 -5.420 -19.467 1.00 0.00 N ATOM 1169 CA ALA A 67 21.902 -4.772 -19.482 1.00 0.00 C ATOM 1170 C ALA A 67 21.263 -4.864 -20.884 1.00 0.00 C ATOM 1171 O ALA A 67 20.038 -4.847 -21.009 1.00 0.00 O ATOM 1172 CB ALA A 67 22.019 -3.293 -19.086 1.00 0.00 C ATOM 0 H ALA A 67 24.035 -4.800 -19.239 1.00 0.00 H new ATOM 0 HA ALA A 67 21.271 -5.300 -18.766 1.00 0.00 H new ATOM 0 HB1 ALA A 67 21.031 -2.833 -19.100 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.440 -3.217 -18.084 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.669 -2.777 -19.793 1.00 0.00 H new ATOM 1173 N LEU A 68 22.044 -4.951 -21.943 1.00 0.00 N ATOM 1174 CA LEU A 68 21.439 -5.027 -23.310 1.00 0.00 C ATOM 1175 C LEU A 68 21.263 -6.497 -23.732 1.00 0.00 C ATOM 1176 O LEU A 68 20.282 -6.847 -24.386 1.00 0.00 O ATOM 1177 CB LEU A 68 22.361 -4.319 -24.310 1.00 0.00 C ATOM 1178 CG LEU A 68 21.525 -3.576 -25.353 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.236 -2.281 -25.750 1.00 0.00 C ATOM 1180 CD2 LEU A 68 21.347 -4.457 -26.592 1.00 0.00 C ATOM 0 H LEU A 68 23.063 -4.972 -21.916 1.00 0.00 H new ATOM 0 HA LEU A 68 20.463 -4.542 -23.296 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.011 -3.618 -23.786 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.007 -5.047 -24.801 1.00 0.00 H new ATOM 0 HG LEU A 68 20.548 -3.341 -24.931 1.00 0.00 H new ATOM 0 HD11 LEU A 68 21.640 -1.752 -26.493 1.00 0.00 H new ATOM 0 HD12 LEU A 68 22.362 -1.650 -24.870 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.214 -2.517 -26.170 1.00 0.00 H new ATOM 0 HD21 LEU A 68 20.751 -3.925 -27.334 1.00 0.00 H new ATOM 0 HD22 LEU A 68 22.324 -4.694 -27.013 1.00 0.00 H new ATOM 0 HD23 LEU A 68 20.839 -5.380 -26.312 1.00 0.00 H new ATOM 1181 N ARG A 69 22.188 -7.366 -23.384 1.00 0.00 N ATOM 1182 CA ARG A 69 22.048 -8.806 -23.787 1.00 0.00 C ATOM 1183 C ARG A 69 20.722 -9.373 -23.254 1.00 0.00 C ATOM 1184 O ARG A 69 20.059 -10.161 -23.927 1.00 0.00 O ATOM 1185 CB ARG A 69 23.212 -9.635 -23.226 1.00 0.00 C ATOM 1186 CG ARG A 69 24.535 -9.132 -23.813 1.00 0.00 C ATOM 1187 CD ARG A 69 24.858 -9.908 -25.090 1.00 0.00 C ATOM 1188 NE ARG A 69 25.538 -11.186 -24.739 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.538 -11.611 -25.460 1.00 0.00 C ATOM 1190 NH1 ARG A 69 26.319 -12.373 -26.496 1.00 0.00 N ATOM 1191 NH2 ARG A 69 27.759 -11.273 -25.144 1.00 0.00 N ATOM 0 H ARG A 69 23.025 -7.144 -22.844 1.00 0.00 H new ATOM 0 HA ARG A 69 22.060 -8.862 -24.876 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.234 -9.560 -22.139 1.00 0.00 H new ATOM 0 HB3 ARG A 69 23.072 -10.688 -23.470 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.466 -8.066 -24.031 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.338 -9.257 -23.086 1.00 0.00 H new ATOM 0 HD2 ARG A 69 23.942 -10.112 -25.645 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.498 -9.310 -25.739 1.00 0.00 H new ATOM 0 HE ARG A 69 25.222 -11.728 -23.935 1.00 0.00 H new ATOM 0 HH11 ARG A 69 25.365 -12.637 -26.743 1.00 0.00 H new ATOM 0 HH12 ARG A 69 27.102 -12.705 -27.059 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.930 -10.677 -24.334 1.00 0.00 H new ATOM 0 HH22 ARG A 69 28.542 -11.605 -25.707 1.00 0.00 H new ATOM 1192 N SER A 70 20.317 -8.996 -22.061 1.00 0.00 N ATOM 1193 CA SER A 70 19.033 -9.527 -21.505 1.00 0.00 C ATOM 1194 C SER A 70 17.838 -8.715 -22.036 1.00 0.00 C ATOM 1195 O SER A 70 16.744 -9.253 -22.199 1.00 0.00 O ATOM 1196 CB SER A 70 19.053 -9.450 -19.974 1.00 0.00 C ATOM 1197 OG SER A 70 19.904 -10.467 -19.463 1.00 0.00 O ATOM 0 H SER A 70 20.818 -8.348 -21.454 1.00 0.00 H new ATOM 0 HA SER A 70 18.928 -10.565 -21.819 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.405 -8.470 -19.652 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.044 -9.572 -19.579 1.00 0.00 H new ATOM 0 HG SER A 70 19.920 -10.419 -18.484 1.00 0.00 H new ATOM 1198 N MET A 71 18.007 -7.436 -22.311 1.00 0.00 N ATOM 1199 CA MET A 71 16.861 -6.630 -22.825 1.00 0.00 C ATOM 1200 C MET A 71 16.997 -6.431 -24.344 1.00 0.00 C ATOM 1201 O MET A 71 16.637 -5.379 -24.871 1.00 0.00 O ATOM 1202 CB MET A 71 16.850 -5.264 -22.134 1.00 0.00 C ATOM 1203 CG MET A 71 16.588 -5.449 -20.638 1.00 0.00 C ATOM 1204 SD MET A 71 15.693 -4.012 -20.000 1.00 0.00 S ATOM 1205 CE MET A 71 14.086 -4.399 -20.737 1.00 0.00 C ATOM 0 H MET A 71 18.883 -6.926 -22.201 1.00 0.00 H new ATOM 0 HA MET A 71 15.931 -7.158 -22.615 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.804 -4.760 -22.287 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.080 -4.629 -22.573 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.008 -6.356 -20.469 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.531 -5.569 -20.105 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.771 -3.574 -21.376 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.168 -5.308 -21.332 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.350 -4.548 -19.947 1.00 0.00 H new ATOM 1206 N GLN A 72 17.497 -7.413 -25.065 1.00 0.00 N ATOM 1207 CA GLN A 72 17.631 -7.250 -26.547 1.00 0.00 C ATOM 1208 C GLN A 72 16.264 -7.488 -27.203 1.00 0.00 C ATOM 1209 O GLN A 72 15.907 -8.621 -27.521 1.00 0.00 O ATOM 1210 CB GLN A 72 18.648 -8.257 -27.104 1.00 0.00 C ATOM 1211 CG GLN A 72 18.828 -8.032 -28.608 1.00 0.00 C ATOM 1212 CD GLN A 72 20.114 -7.234 -28.858 1.00 0.00 C ATOM 1213 OE1 GLN A 72 20.076 -5.923 -28.885 1.00 0.00 O flip ATOM 1214 NE2 GLN A 72 21.182 -7.815 -29.035 1.00 0.00 N flip ATOM 0 H GLN A 72 17.814 -8.309 -24.694 1.00 0.00 H new ATOM 0 HA GLN A 72 17.980 -6.241 -26.766 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.604 -8.143 -26.593 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.306 -9.275 -26.917 1.00 0.00 H new ATOM 0 HG2 GLN A 72 18.876 -8.990 -29.126 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.970 -7.494 -29.011 1.00 0.00 H new ATOM 0 HE21 GLN A 72 21.218 -8.834 -29.015 1.00 0.00 H new ATOM 0 HE22 GLN A 72 22.033 -7.278 -29.202 1.00 0.00 H new ATOM 1215 N GLY A 73 15.486 -6.448 -27.410 1.00 0.00 N ATOM 1216 CA GLY A 73 14.147 -6.633 -28.041 1.00 0.00 C ATOM 1217 C GLY A 73 13.112 -6.956 -26.955 1.00 0.00 C ATOM 1218 O GLY A 73 12.521 -8.036 -26.950 1.00 0.00 O ATOM 0 H GLY A 73 15.723 -5.486 -27.169 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.858 -5.729 -28.577 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.186 -7.440 -28.773 1.00 0.00 H new ATOM 1219 N PHE A 74 12.875 -6.050 -26.030 1.00 0.00 N ATOM 1220 CA PHE A 74 11.878 -6.325 -24.954 1.00 0.00 C ATOM 1221 C PHE A 74 10.852 -5.179 -24.897 1.00 0.00 C ATOM 1222 O PHE A 74 11.107 -4.102 -25.433 1.00 0.00 O ATOM 1223 CB PHE A 74 12.599 -6.432 -23.608 1.00 0.00 C ATOM 1224 CG PHE A 74 12.788 -7.887 -23.247 1.00 0.00 C ATOM 1225 CD1 PHE A 74 13.485 -8.738 -24.114 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.266 -8.383 -22.048 1.00 0.00 C ATOM 1227 CE1 PHE A 74 13.660 -10.085 -23.779 1.00 0.00 C ATOM 1228 CE2 PHE A 74 12.440 -9.731 -21.713 1.00 0.00 C ATOM 1229 CZ PHE A 74 13.138 -10.582 -22.579 1.00 0.00 C ATOM 0 H PHE A 74 13.329 -5.138 -25.978 1.00 0.00 H new ATOM 0 HA PHE A 74 11.363 -7.262 -25.167 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.566 -5.932 -23.662 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.021 -5.927 -22.834 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.887 -8.355 -25.040 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.729 -7.726 -21.380 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.198 -10.742 -24.447 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.036 -10.114 -20.788 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.274 -11.622 -22.321 1.00 0.00 H new ATOM 1230 N PRO A 75 9.721 -5.419 -24.256 1.00 0.00 N ATOM 1231 CA PRO A 75 8.663 -4.399 -24.134 1.00 0.00 C ATOM 1232 C PRO A 75 9.022 -3.381 -23.040 1.00 0.00 C ATOM 1233 O PRO A 75 9.630 -3.730 -22.030 1.00 0.00 O ATOM 1234 CB PRO A 75 7.422 -5.206 -23.740 1.00 0.00 C ATOM 1235 CG PRO A 75 7.937 -6.521 -23.109 1.00 0.00 C ATOM 1236 CD PRO A 75 9.384 -6.709 -23.600 1.00 0.00 C ATOM 0 HA PRO A 75 8.518 -3.825 -25.049 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.807 -4.651 -23.032 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.800 -5.411 -24.611 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.901 -6.468 -22.021 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.314 -7.364 -23.408 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.060 -6.923 -22.772 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.462 -7.542 -24.298 1.00 0.00 H new ATOM 1237 N PHE A 76 8.657 -2.129 -23.216 1.00 0.00 N ATOM 1238 CA PHE A 76 8.982 -1.107 -22.180 1.00 0.00 C ATOM 1239 C PHE A 76 7.724 -0.282 -21.864 1.00 0.00 C ATOM 1240 O PHE A 76 7.256 -0.263 -20.727 1.00 0.00 O ATOM 1241 CB PHE A 76 10.087 -0.183 -22.701 1.00 0.00 C ATOM 1242 CG PHE A 76 10.750 0.521 -21.539 1.00 0.00 C ATOM 1243 CD1 PHE A 76 11.218 -0.217 -20.444 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.897 1.914 -21.558 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.831 0.437 -19.370 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.511 2.567 -20.483 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.978 1.830 -19.389 1.00 0.00 C ATOM 0 H PHE A 76 8.151 -1.778 -24.029 1.00 0.00 H new ATOM 0 HA PHE A 76 9.326 -1.604 -21.273 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.825 -0.760 -23.258 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.667 0.549 -23.391 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.106 -1.291 -20.429 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.537 2.484 -22.402 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.191 -0.132 -18.526 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.624 3.641 -20.498 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.451 2.335 -18.560 1.00 0.00 H new ATOM 1248 N TYR A 77 7.160 0.395 -22.843 1.00 0.00 N ATOM 1249 CA TYR A 77 5.937 1.200 -22.578 1.00 0.00 C ATOM 1250 C TYR A 77 4.785 0.677 -23.450 1.00 0.00 C ATOM 1251 O TYR A 77 4.340 1.350 -24.378 1.00 0.00 O ATOM 1252 CB TYR A 77 6.207 2.670 -22.909 1.00 0.00 C ATOM 1253 CG TYR A 77 6.588 3.406 -21.646 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.805 3.125 -21.015 1.00 0.00 C ATOM 1255 CD2 TYR A 77 5.724 4.365 -21.106 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.159 3.804 -19.844 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.078 5.046 -19.933 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.296 4.765 -19.303 1.00 0.00 C ATOM 1259 OH TYR A 77 7.646 5.435 -18.148 1.00 0.00 O ATOM 0 H TYR A 77 7.498 0.420 -23.805 1.00 0.00 H new ATOM 0 HA TYR A 77 5.665 1.114 -21.526 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.008 2.748 -23.644 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.321 3.123 -23.354 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.471 2.384 -21.432 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.784 4.581 -21.593 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.098 3.587 -19.357 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.412 5.787 -19.516 1.00 0.00 H new ATOM 0 HH TYR A 77 8.195 4.851 -17.585 1.00 0.00 H new ATOM 1260 N ASP A 78 4.289 -0.511 -23.175 1.00 0.00 N ATOM 1261 CA ASP A 78 3.170 -1.063 -23.995 1.00 0.00 C ATOM 1262 C ASP A 78 3.619 -1.193 -25.457 1.00 0.00 C ATOM 1263 O ASP A 78 2.869 -0.865 -26.376 1.00 0.00 O ATOM 1264 CB ASP A 78 1.962 -0.125 -23.913 1.00 0.00 C ATOM 1265 CG ASP A 78 1.643 0.173 -22.447 1.00 0.00 C ATOM 1266 OD1 ASP A 78 1.305 -0.758 -21.734 1.00 0.00 O ATOM 1267 OD2 ASP A 78 1.741 1.327 -22.062 1.00 0.00 O ATOM 0 H ASP A 78 4.613 -1.116 -22.420 1.00 0.00 H new ATOM 0 HA ASP A 78 2.893 -2.045 -23.612 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.172 0.802 -24.446 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.100 -0.583 -24.398 1.00 0.00 H new ATOM 1268 N LYS A 79 4.824 -1.665 -25.702 1.00 0.00 N ATOM 1269 CA LYS A 79 5.292 -1.805 -27.119 1.00 0.00 C ATOM 1270 C LYS A 79 6.677 -2.491 -27.155 1.00 0.00 C ATOM 1271 O LYS A 79 7.470 -2.308 -26.236 1.00 0.00 O ATOM 1272 CB LYS A 79 5.396 -0.414 -27.753 1.00 0.00 C ATOM 1273 CG LYS A 79 4.809 -0.444 -29.168 1.00 0.00 C ATOM 1274 CD LYS A 79 4.127 0.893 -29.468 1.00 0.00 C ATOM 1275 CE LYS A 79 5.160 1.885 -30.005 1.00 0.00 C ATOM 1276 NZ LYS A 79 4.471 2.932 -30.811 1.00 0.00 N ATOM 0 H LYS A 79 5.494 -1.955 -24.990 1.00 0.00 H new ATOM 0 HA LYS A 79 4.580 -2.415 -27.675 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.862 0.315 -27.143 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.438 -0.097 -27.788 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.598 -0.633 -29.896 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.090 -1.259 -29.258 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.330 0.751 -30.198 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.664 1.288 -28.564 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.702 2.345 -29.179 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.896 1.364 -30.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.173 3.607 -31.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.973 2.485 -31.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.786 3.436 -30.213 1.00 0.00 H new ATOM 1277 N PRO A 80 6.950 -3.258 -28.200 1.00 0.00 N ATOM 1278 CA PRO A 80 8.243 -3.955 -28.333 1.00 0.00 C ATOM 1279 C PRO A 80 9.329 -2.976 -28.806 1.00 0.00 C ATOM 1280 O PRO A 80 9.050 -2.050 -29.568 1.00 0.00 O ATOM 1281 CB PRO A 80 7.974 -5.025 -29.393 1.00 0.00 C ATOM 1282 CG PRO A 80 6.756 -4.536 -30.210 1.00 0.00 C ATOM 1283 CD PRO A 80 6.022 -3.504 -29.333 1.00 0.00 C ATOM 0 HA PRO A 80 8.600 -4.378 -27.394 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.843 -5.161 -30.036 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.768 -5.989 -28.928 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.076 -4.087 -31.151 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.099 -5.368 -30.461 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.817 -2.587 -29.885 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.063 -3.888 -28.985 1.00 0.00 H new ATOM 1284 N MET A 81 10.560 -3.151 -28.375 1.00 0.00 N ATOM 1285 CA MET A 81 11.639 -2.215 -28.813 1.00 0.00 C ATOM 1286 C MET A 81 13.001 -2.929 -28.788 1.00 0.00 C ATOM 1287 O MET A 81 13.299 -3.689 -27.869 1.00 0.00 O ATOM 1288 CB MET A 81 11.681 -1.005 -27.873 1.00 0.00 C ATOM 1289 CG MET A 81 11.749 -1.479 -26.418 1.00 0.00 C ATOM 1290 SD MET A 81 12.603 -0.236 -25.418 1.00 0.00 S ATOM 1291 CE MET A 81 13.757 -1.361 -24.594 1.00 0.00 C ATOM 0 H MET A 81 10.858 -3.896 -27.745 1.00 0.00 H new ATOM 0 HA MET A 81 11.429 -1.883 -29.830 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.547 -0.384 -28.103 1.00 0.00 H new ATOM 0 HB3 MET A 81 10.796 -0.386 -28.022 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.744 -1.645 -26.031 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.274 -2.432 -26.359 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.309 -0.818 -23.827 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.202 -2.178 -24.132 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.456 -1.766 -25.326 1.00 0.00 H new ATOM 1292 N ARG A 82 13.841 -2.696 -29.776 1.00 0.00 N ATOM 1293 CA ARG A 82 15.177 -3.359 -29.791 1.00 0.00 C ATOM 1294 C ARG A 82 16.229 -2.374 -29.265 1.00 0.00 C ATOM 1295 O ARG A 82 16.098 -1.164 -29.438 1.00 0.00 O ATOM 1296 CB ARG A 82 15.532 -3.770 -31.222 1.00 0.00 C ATOM 1297 CG ARG A 82 14.480 -4.752 -31.746 1.00 0.00 C ATOM 1298 CD ARG A 82 14.293 -4.544 -33.250 1.00 0.00 C ATOM 1299 NE ARG A 82 13.402 -5.609 -33.792 1.00 0.00 N ATOM 1300 CZ ARG A 82 12.167 -5.699 -33.381 1.00 0.00 C ATOM 1301 NH1 ARG A 82 11.392 -4.648 -33.410 1.00 0.00 N ATOM 1302 NH2 ARG A 82 11.707 -6.838 -32.942 1.00 0.00 N ATOM 0 H ARG A 82 13.654 -2.078 -30.565 1.00 0.00 H new ATOM 0 HA ARG A 82 15.153 -4.247 -29.159 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.576 -2.890 -31.864 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.519 -4.231 -31.245 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.792 -5.777 -31.546 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.534 -4.600 -31.227 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.861 -3.562 -33.441 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.259 -4.571 -33.755 1.00 0.00 H new ATOM 0 HE ARG A 82 13.758 -6.268 -34.485 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.752 -3.758 -33.754 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.426 -4.717 -33.089 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.313 -7.658 -32.920 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.741 -6.908 -32.621 1.00 0.00 H new ATOM 1303 N ILE A 83 17.267 -2.859 -28.618 1.00 0.00 N ATOM 1304 CA ILE A 83 18.304 -1.928 -28.085 1.00 0.00 C ATOM 1305 C ILE A 83 19.615 -2.090 -28.869 1.00 0.00 C ATOM 1306 O ILE A 83 20.001 -3.199 -29.236 1.00 0.00 O ATOM 1307 CB ILE A 83 18.563 -2.235 -26.607 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.236 -2.250 -25.844 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.474 -1.156 -26.018 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.483 -2.702 -24.403 1.00 0.00 C ATOM 0 H ILE A 83 17.435 -3.849 -28.440 1.00 0.00 H new ATOM 0 HA ILE A 83 17.944 -0.905 -28.192 1.00 0.00 H new ATOM 0 HB ILE A 83 19.042 -3.210 -26.518 1.00 0.00 H new ATOM 0 HG12 ILE A 83 16.787 -1.257 -25.853 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.531 -2.923 -26.332 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.660 -1.372 -24.966 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.420 -1.144 -26.559 1.00 0.00 H new ATOM 0 HG23 ILE A 83 18.991 -0.183 -26.109 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.539 -2.713 -23.858 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.913 -3.704 -24.404 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.173 -2.012 -23.918 1.00 0.00 H new ATOM 1311 N GLN A 84 20.315 -1.007 -29.125 1.00 0.00 N ATOM 1312 CA GLN A 84 21.603 -1.100 -29.872 1.00 0.00 C ATOM 1313 C GLN A 84 22.617 -0.151 -29.216 1.00 0.00 C ATOM 1314 O GLN A 84 22.285 0.985 -28.891 1.00 0.00 O ATOM 1315 CB GLN A 84 21.386 -0.689 -31.329 1.00 0.00 C ATOM 1316 CG GLN A 84 20.711 0.684 -31.377 1.00 0.00 C ATOM 1317 CD GLN A 84 20.443 1.079 -32.836 1.00 0.00 C ATOM 1318 OE1 GLN A 84 20.972 0.459 -33.756 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.647 2.085 -33.104 1.00 0.00 N ATOM 0 H GLN A 84 20.045 -0.064 -28.846 1.00 0.00 H new ATOM 0 HA GLN A 84 21.975 -2.124 -29.845 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.340 -0.655 -31.854 1.00 0.00 H new ATOM 0 HB3 GLN A 84 20.768 -1.428 -31.838 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.775 0.659 -30.819 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.347 1.429 -30.899 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.206 2.603 -32.344 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.469 2.350 -34.073 1.00 0.00 H new ATOM 1320 N TYR A 85 23.842 -0.588 -29.001 1.00 0.00 N ATOM 1321 CA TYR A 85 24.857 0.310 -28.343 1.00 0.00 C ATOM 1322 C TYR A 85 24.878 1.690 -29.022 1.00 0.00 C ATOM 1323 O TYR A 85 24.726 1.799 -30.238 1.00 0.00 O ATOM 1324 CB TYR A 85 26.256 -0.308 -28.438 1.00 0.00 C ATOM 1325 CG TYR A 85 26.326 -1.536 -27.563 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.245 -1.412 -26.169 1.00 0.00 C ATOM 1327 CD2 TYR A 85 26.470 -2.800 -28.148 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.310 -2.553 -25.363 1.00 0.00 C ATOM 1329 CE2 TYR A 85 26.534 -3.939 -27.341 1.00 0.00 C ATOM 1330 CZ TYR A 85 26.454 -3.817 -25.950 1.00 0.00 C ATOM 1331 OH TYR A 85 26.516 -4.945 -25.160 1.00 0.00 O ATOM 0 H TYR A 85 24.181 -1.517 -29.250 1.00 0.00 H new ATOM 0 HA TYR A 85 24.575 0.424 -27.296 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.479 -0.572 -29.472 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.007 0.417 -28.125 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.133 -0.437 -25.718 1.00 0.00 H new ATOM 0 HD2 TYR A 85 26.532 -2.895 -29.222 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.249 -2.460 -24.289 1.00 0.00 H new ATOM 0 HE2 TYR A 85 26.645 -4.914 -27.792 1.00 0.00 H new ATOM 0 HH TYR A 85 25.642 -5.102 -24.744 1.00 0.00 H new ATOM 1332 N ALA A 86 25.067 2.751 -28.262 1.00 0.00 N ATOM 1333 CA ALA A 86 25.098 4.115 -28.882 1.00 0.00 C ATOM 1334 C ALA A 86 26.212 4.162 -29.940 1.00 0.00 C ATOM 1335 O ALA A 86 26.865 3.153 -30.208 1.00 0.00 O ATOM 1336 CB ALA A 86 25.367 5.182 -27.810 1.00 0.00 C ATOM 0 H ALA A 86 25.199 2.729 -27.251 1.00 0.00 H new ATOM 0 HA ALA A 86 24.133 4.318 -29.346 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.387 6.168 -28.275 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.577 5.151 -27.059 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.328 4.986 -27.334 1.00 0.00 H new ATOM 1337 N LYS A 87 26.448 5.304 -30.550 1.00 0.00 N ATOM 1338 CA LYS A 87 27.523 5.385 -31.582 1.00 0.00 C ATOM 1339 C LYS A 87 28.837 5.828 -30.921 1.00 0.00 C ATOM 1340 O LYS A 87 29.883 5.216 -31.130 1.00 0.00 O ATOM 1341 CB LYS A 87 27.130 6.395 -32.664 1.00 0.00 C ATOM 1342 CG LYS A 87 25.845 5.930 -33.355 1.00 0.00 C ATOM 1343 CD LYS A 87 25.145 7.130 -33.995 1.00 0.00 C ATOM 1344 CE LYS A 87 23.967 6.642 -34.840 1.00 0.00 C ATOM 1345 NZ LYS A 87 24.450 6.283 -36.204 1.00 0.00 N ATOM 0 H LYS A 87 25.944 6.174 -30.376 1.00 0.00 H new ATOM 0 HA LYS A 87 27.656 4.404 -32.038 1.00 0.00 H new ATOM 0 HB2 LYS A 87 26.981 7.379 -32.220 1.00 0.00 H new ATOM 0 HB3 LYS A 87 27.933 6.493 -33.394 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.078 5.184 -34.115 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.183 5.453 -32.632 1.00 0.00 H new ATOM 0 HD2 LYS A 87 24.794 7.814 -33.223 1.00 0.00 H new ATOM 0 HD3 LYS A 87 25.847 7.685 -34.617 1.00 0.00 H new ATOM 0 HE2 LYS A 87 23.501 5.777 -34.368 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.205 7.419 -34.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 23.650 5.951 -36.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 24.876 7.119 -36.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 25.162 5.528 -36.133 1.00 0.00 H new ATOM 1346 N THR A 88 28.811 6.878 -30.128 1.00 0.00 N ATOM 1347 CA THR A 88 30.061 7.342 -29.467 1.00 0.00 C ATOM 1348 C THR A 88 29.989 7.034 -27.963 1.00 0.00 C ATOM 1349 O THR A 88 28.994 6.498 -27.478 1.00 0.00 O ATOM 1350 CB THR A 88 30.217 8.850 -29.674 1.00 0.00 C ATOM 1351 OG1 THR A 88 28.975 9.492 -29.426 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.658 9.126 -31.112 1.00 0.00 C ATOM 0 H THR A 88 27.978 7.427 -29.915 1.00 0.00 H new ATOM 0 HA THR A 88 30.917 6.826 -29.902 1.00 0.00 H new ATOM 0 HB THR A 88 30.969 9.236 -28.985 1.00 0.00 H new ATOM 0 HG1 THR A 88 29.074 10.458 -29.557 1.00 0.00 H new ATOM 0 HG21 THR A 88 30.769 10.200 -31.259 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.612 8.634 -31.301 1.00 0.00 H new ATOM 0 HG23 THR A 88 29.908 8.741 -31.803 1.00 0.00 H new ATOM 1353 N ASP A 89 31.018 7.364 -27.209 1.00 0.00 N ATOM 1354 CA ASP A 89 30.981 7.085 -25.740 1.00 0.00 C ATOM 1355 C ASP A 89 30.303 8.258 -25.018 1.00 0.00 C ATOM 1356 O ASP A 89 29.981 9.272 -25.635 1.00 0.00 O ATOM 1357 CB ASP A 89 32.406 6.908 -25.202 1.00 0.00 C ATOM 1358 CG ASP A 89 32.961 5.559 -25.662 1.00 0.00 C ATOM 1359 OD1 ASP A 89 32.771 4.589 -24.948 1.00 0.00 O ATOM 1360 OD2 ASP A 89 33.567 5.520 -26.720 1.00 0.00 O ATOM 0 H ASP A 89 31.871 7.810 -27.547 1.00 0.00 H new ATOM 0 HA ASP A 89 30.419 6.168 -25.563 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.044 7.717 -25.559 1.00 0.00 H new ATOM 0 HB3 ASP A 89 32.404 6.960 -24.113 1.00 0.00 H new ATOM 1361 N SER A 90 30.076 8.148 -23.727 1.00 0.00 N ATOM 1362 CA SER A 90 29.417 9.268 -22.993 1.00 0.00 C ATOM 1363 C SER A 90 30.476 10.091 -22.247 1.00 0.00 C ATOM 1364 O SER A 90 31.519 9.570 -21.858 1.00 0.00 O ATOM 1365 CB SER A 90 28.411 8.702 -21.991 1.00 0.00 C ATOM 1366 OG SER A 90 28.972 7.562 -21.355 1.00 0.00 O ATOM 0 H SER A 90 30.318 7.336 -23.158 1.00 0.00 H new ATOM 0 HA SER A 90 28.898 9.909 -23.706 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.155 9.458 -21.248 1.00 0.00 H new ATOM 0 HB3 SER A 90 27.487 8.430 -22.501 1.00 0.00 H new ATOM 0 HG SER A 90 28.534 6.752 -21.690 1.00 0.00 H new ATOM 1367 N ASP A 91 30.235 11.369 -22.040 1.00 0.00 N ATOM 1368 CA ASP A 91 31.243 12.206 -21.321 1.00 0.00 C ATOM 1369 C ASP A 91 31.111 12.070 -19.789 1.00 0.00 C ATOM 1370 O ASP A 91 31.899 12.667 -19.054 1.00 0.00 O ATOM 1371 CB ASP A 91 31.071 13.680 -21.710 1.00 0.00 C ATOM 1372 CG ASP A 91 32.197 14.508 -21.088 1.00 0.00 C ATOM 1373 OD1 ASP A 91 33.347 14.226 -21.383 1.00 0.00 O ATOM 1374 OD2 ASP A 91 31.890 15.410 -20.326 1.00 0.00 O ATOM 0 H ASP A 91 29.391 11.860 -22.336 1.00 0.00 H new ATOM 0 HA ASP A 91 32.232 11.852 -21.613 1.00 0.00 H new ATOM 0 HB2 ASP A 91 31.085 13.785 -22.795 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.104 14.047 -21.367 1.00 0.00 H new ATOM 1375 N ILE A 92 30.160 11.311 -19.268 1.00 0.00 N ATOM 1376 CA ILE A 92 30.064 11.188 -17.782 1.00 0.00 C ATOM 1377 C ILE A 92 31.282 10.406 -17.242 1.00 0.00 C ATOM 1378 O ILE A 92 31.722 10.650 -16.121 1.00 0.00 O ATOM 1379 CB ILE A 92 28.750 10.505 -17.360 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.580 9.152 -18.068 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.572 11.417 -17.716 1.00 0.00 C ATOM 1382 CD1 ILE A 92 28.106 8.102 -17.060 1.00 0.00 C ATOM 0 H ILE A 92 29.466 10.787 -19.801 1.00 0.00 H new ATOM 0 HA ILE A 92 30.065 12.190 -17.353 1.00 0.00 H new ATOM 0 HB ILE A 92 28.779 10.329 -16.285 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.859 9.243 -18.880 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.525 8.842 -18.514 1.00 0.00 H new ATOM 0 HG21 ILE A 92 26.639 10.938 -17.419 1.00 0.00 H new ATOM 0 HG22 ILE A 92 27.676 12.367 -17.191 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.562 11.596 -18.791 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.986 7.143 -17.563 1.00 0.00 H new ATOM 0 HD12 ILE A 92 28.843 8.004 -16.263 1.00 0.00 H new ATOM 0 HD13 ILE A 92 27.151 8.411 -16.635 1.00 0.00 H new ATOM 1383 N ILE A 93 31.869 9.505 -18.015 1.00 0.00 N ATOM 1384 CA ILE A 93 33.081 8.774 -17.516 1.00 0.00 C ATOM 1385 C ILE A 93 34.324 9.688 -17.665 1.00 0.00 C ATOM 1386 O ILE A 93 35.339 9.458 -17.014 1.00 0.00 O ATOM 1387 CB ILE A 93 33.275 7.450 -18.303 1.00 0.00 C ATOM 1388 CG1 ILE A 93 32.300 6.396 -17.774 1.00 0.00 C ATOM 1389 CG2 ILE A 93 34.702 6.907 -18.130 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.869 6.841 -18.043 1.00 0.00 C ATOM 0 H ILE A 93 31.562 9.252 -18.954 1.00 0.00 H new ATOM 0 HA ILE A 93 32.947 8.522 -16.464 1.00 0.00 H new ATOM 0 HB ILE A 93 33.093 7.657 -19.358 1.00 0.00 H new ATOM 0 HG12 ILE A 93 32.490 5.437 -18.256 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.451 6.251 -16.704 1.00 0.00 H new ATOM 0 HG21 ILE A 93 34.809 5.979 -18.692 1.00 0.00 H new ATOM 0 HG22 ILE A 93 35.418 7.641 -18.501 1.00 0.00 H new ATOM 0 HG23 ILE A 93 34.893 6.715 -17.074 1.00 0.00 H new ATOM 0 HD11 ILE A 93 30.177 6.088 -17.665 1.00 0.00 H new ATOM 0 HD12 ILE A 93 30.683 7.790 -17.541 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.722 6.963 -19.116 1.00 0.00 H new